benzyl (2S)-2-amino-5-[4-[[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]pyrimidin-4-yl]amino]methyl]piperidin-1-yl]-5-oxopentanoate;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-6-piperidin-1-ylpyrimidine-2,4-diamine;cyclohexylmethyl (2S)-2-amino-5-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]pyrimidin-4-yl]amino]piperidin-1-yl]-5-oxopentanoate;N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-4-(4-methylpiperazin-1-yl)-6-piperidin-1-ylpyrimidin-2-amine;2-N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-6-morpholin-4-yl-4-N-piperidin-4-ylpyrimidine-2,4-diamine;2-N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-6-piperazin-1-yl-4-N-piperidin-4-ylpyrimidine-2,4-diamine;2-N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-6-piperidin-1-yl-4-N-piperidin-4-ylpyrimidine-2,4-diamine;2-N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-4-piperidin-1-ylpyrimidine-2,5-diamine;2-N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-6-piperidin-1-ylpyrimidine-2,4-diamine;ethyl 4-[2-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methylamino]-6-piperidin-1-ylpyrimidin-4-yl]piperazine-1-carboxylate

C290H491N101O9 — CID 159262603

IUPACbenzyl (2S)-2-amino-5-[4-[[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]pyrimidin-4-yl]amino]methyl]piperidin-1-yl]-5-oxopentanoate;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-6-piperidin-1-ylpyrimidine-2,4-diamine;cyclohexylmethyl (2S)-2-amino-5-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]pyrimidin-4-yl]amino]piperidin-1-yl]-5-oxopentanoate;N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-4-(4-methylpiperazin-1-yl)-6-piperidin-1-ylpyrimidin-2-amine;2-N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-6-morpholin-4-yl-4-N-piperidin-4-ylpyrimidine-2,4-diamine;2-N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-6-piperazin-1-yl-4-N-piperidin-4-ylpyrimidine-2,4-diamine;2-N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-6-piperidin-1-yl-4-N-piperidin-4-ylpyrimidine-2,4-diamine;2-N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-4-piperidin-1-ylpyrimidine-2,5-diamine;2-N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-6-piperidin-1-ylpyrimidine-2,4-diamine;ethyl 4-[2-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methylamino]-6-piperidin-1-ylpyrimidin-4-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2cc(N3CCCCC3)nc(NCc3cn(CCCNCCCC4CCCCC4)nn3)n2)CC1.CN1CCN(c2cc(N3CCCCC3)nc(NCc3cn(CCCNCCCC4CCCCC4)nn3)n2)CC1.N[C@@H](CCC(=O)N1CCC(CNc2ccnc(NCc3cn(CCCNCCCNC4CCCCC4)nn3)n2)CC1)C(=O)OCc1ccccc1.N[C@@H](CCC(=O)N1CCC(Nc2ccnc(NCc3cn(CCCNCCCNC4CCCCC4)nn3)n2)CC1)C(=O)OCC1CCCCC1.Nc1cc(N2CCCCC2)nc(NCc2cn(CCCNCCCC3CCCCC3)nn2)n1.Nc1cc(N2CCCCC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1.Nc1cnc(NCc2cn(CCCNCCCC3CCCCC3)nn2)nc1N1CCCCC1.c1c(NC2CCNCC2)nc(NCc2cn(CCCNCCCC3CCCCC3)nn2)nc1N1CCCCC1.c1c(NC2CCNCC2)nc(NCc2cn(CCCNCCCC3CCCCC3)nn2)nc1N1CCNCC1.c1c(NC2CCNCC2)nc(NCc2cn(CCCNCCCC3CCCCC3)nn2)nc1N1CCOCC1
InChIInChI=1S/C37H57N11O3.C36H61N11O3.C31H52N10O2.2C29H50N10.C28H49N11.C28H48N10O.C24H42N10.2C24H41N9/c38-33(36(50)51-28-30-9-3-1-4-10-30)13-14-35(49)47-23-16-29(17-24-47)25-42-34-15-21-41-37(44-34)43-26-32-27-48(46-45-32)22-8-19-39-18-7-20-40-31-11-5-2-6-12-31;37-32(35(49)50-27-28-9-3-1-4-10-28)13-14-34(48)46-23-16-30(17-24-46)42-33-15-21-40-36(43-33)41-25-31-26-47(45-44-31)22-8-19-38-18-7-20-39-29-11-5-2-6-12-29;1-2-43-31(42)40-21-19-39(20-22-40)29-23-28(38-16-7-4-8-17-38)34-30(35-29)33-24-27-25-41(37-36-27)18-10-15-32-14-9-13-26-11-5-3-6-12-26;1-36-18-20-38(21-19-36)28-22-27(37-15-6-3-7-16-37)32-29(33-28)31-23-26-24-39(35-34-26)17-9-14-30-13-8-12-25-10-4-2-5-11-25;1-3-9-24(10-4-1)11-7-14-30-15-8-20-39-23-26(36-37-39)22-32-29-34-27(33-25-12-16-31-17-13-25)21-28(35-29)38-18-5-2-6-19-38;1-2-6-23(7-3-1)8-4-11-29-12-5-17-39-22-25(36-37-39)21-32-28-34-26(33-24-9-13-30-14-10-24)20-27(35-28)38-18-15-31-16-19-38;1-2-6-23(7-3-1)8-4-11-29-12-5-15-38-22-25(35-36-38)21-31-28-33-26(32-24-9-13-30-14-10-24)20-27(34-28)37-16-18-39-19-17-37;25-22-17-23(33-14-5-2-6-15-33)30-24(29-22)28-18-21-19-34(32-31-21)16-8-12-26-11-7-13-27-20-9-3-1-4-10-20;25-22-17-23(32-14-5-2-6-15-32)29-24(28-22)27-18-21-19-33(31-30-21)16-8-13-26-12-7-11-20-9-3-1-4-10-20;25-22-18-28-24(29-23(22)32-14-5-2-6-15-32)27-17-21-19-33(31-30-21)16-8-13-26-12-7-11-20-9-3-1-4-10-20/h1,3-4,9-10,15,21,27,29,31,33,39-40H,2,5-8,11-14,16-20,22-26,28,38H2,(H2,41,42,43,44);15,21,26,28-30,32,38-39H,1-14,16-20,22-25,27,37H2,(H2,40,41,42,43);23,25-26,32H,2-22,24H2,1H3,(H,33,34,35);22,24-25,30H,2-21,23H2,1H3,(H,31,32,33);21,23-25,30-31H,1-20,22H2,(H2,32,33,34,35);20,22-24,29-31H,1-19,21H2,(H2,32,33,34,35);20,22-24,29-30H,1-19,21H2,(H2,31,32,33,34);17,19-20,26-27H,1-16,18H2,(H3,25,28,29,30);17,19-20,26H,1-16,18H2,(H3,25,27,28,29);18-20,26H,1-17,25H2,(H,27,28,29)/t33-;32-;;;;;;;;/m00......../s1
InChIKeyKWRVBCCUZKTVFV-GGYNGXKGSA-N
MW5536.82 g/mol
LogP34.65
Rot. Bonds147

About benzyl (2S)-2-amino-5-[4-[[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]pyrimidin-4-yl]amino]methyl]piperidin-1-yl]-5-oxopentanoate;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-6-piperidin-1-ylpyrimidine-2,4-diamine;cyclohexylmethyl (2S)-2-amino-5-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]pyrimidin-4-yl]amino]piperidin-1-yl]-5-oxopentanoate;N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-4-(4-methylpiperazin-1-yl)-6-piperidin-1-ylpyrimidin-2-amine;2-N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-6-morpholin-4-yl-4-N-piperidin-4-ylpyrimidine-2,4-diamine;2-N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-6-piperazin-1-yl-4-N-piperidin-4-ylpyrimidine-2,4-diamine;2-N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-6-piperidin-1-yl-4-N-piperidin-4-ylpyrimidine-2,4-diamine;2-N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-4-piperidin-1-ylpyrimidine-2,5-diamine;2-N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-6-piperidin-1-ylpyrimidine-2,4-diamine;ethyl 4-[2-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methylamino]-6-piperidin-1-ylpyrimidin-4-yl]piperazine-1-carboxylate

benzyl (2S)-2-amino-5-[4-[[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]pyrimidin-4-yl]amino]methyl]piperidin-1-yl]-5-oxopentanoate;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-6-piperidin-1-ylpyrimidine-2,4-diamine;cyclohexylmethyl (2S)-2-amino-5-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]pyrimidin-4-yl]amino]piperidin-1-yl]-5-oxopentanoate;N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-4-(4-methylpiperazin-1-yl)-6-piperidin-1-ylpyrimidin-2-amine;2-N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-6-morpholin-4-yl-4-N-piperidin-4-ylpyrimidine-2,4-diamine;2-N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-6-piperazin-1-yl-4-N-piperidin-4-ylpyrimidine-2,4-diamine;2-N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-6-piperidin-1-yl-4-N-piperidin-4-ylpyrimidine-2,4-diamine;2-N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-4-piperidin-1-ylpyrimidine-2,5-diamine;2-N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-6-piperidin-1-ylpyrimidine-2,4-diamine;ethyl 4-[2-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methylamino]-6-piperidin-1-ylpyrimidin-4-yl]piperazine-1-carboxylate (PubChem CID 159262603) has the molecular formula C290H491N101O9 and a molecular weight of 5536.82 g/mol. Its IUPAC name is benzyl (2S)-2-amino-5-[4-[[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]pyrimidin-4-yl]amino]methyl]piperidin-1-yl]-5-oxopentanoate;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-6-piperidin-1-ylpyrimidine-2,4-diamine;cyclohexylmethyl (2S)-2-amino-5-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]pyrimidin-4-yl]amino]piperidin-1-yl]-5-oxopentanoate;N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-4-(4-methylpiperazin-1-yl)-6-piperidin-1-ylpyrimidin-2-amine;2-N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-6-morpholin-4-yl-4-N-piperidin-4-ylpyrimidine-2,4-diamine;2-N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-6-piperazin-1-yl-4-N-piperidin-4-ylpyrimidine-2,4-diamine;2-N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-6-piperidin-1-yl-4-N-piperidin-4-ylpyrimidine-2,4-diamine;2-N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-4-piperidin-1-ylpyrimidine-2,5-diamine;2-N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-6-piperidin-1-ylpyrimidine-2,4-diamine;ethyl 4-[2-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methylamino]-6-piperidin-1-ylpyrimidin-4-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2S)-2-amino-5-[4-[[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]pyrimidin-4-yl]amino]methyl]piperidin-1-yl]-5-oxopentanoate;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-6-piperidin-1-ylpyrimidine-2,4-diamine;cyclohexylmethyl (2S)-2-amino-5-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]pyrimidin-4-yl]amino]piperidin-1-yl]-5-oxopentanoate;N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-4-(4-methylpiperazin-1-yl)-6-piperidin-1-ylpyrimidin-2-amine;2-N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-6-morpholin-4-yl-4-N-piperidin-4-ylpyrimidine-2,4-diamine;2-N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-6-piperazin-1-yl-4-N-piperidin-4-ylpyrimidine-2,4-diamine;2-N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-6-piperidin-1-yl-4-N-piperidin-4-ylpyrimidine-2,4-diamine;2-N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-4-piperidin-1-ylpyrimidine-2,5-diamine;2-N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-6-piperidin-1-ylpyrimidine-2,4-diamine;ethyl 4-[2-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methylamino]-6-piperidin-1-ylpyrimidin-4-yl]piperazine-1-carboxylate
PubChem CID159262603
Molecular FormulaC290H491N101O9
Molecular Weight5536.82 g/mol
Exact Mass5533.11
IUPAC Namebenzyl (2S)-2-amino-5-[4-[[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]pyrimidin-4-yl]amino]methyl]piperidin-1-yl]-5-oxopentanoate;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-6-piperidin-1-ylpyrimidine-2,4-diamine;cyclohexylmethyl (2S)-2-amino-5-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]pyrimidin-4-yl]amino]piperidin-1-yl]-5-oxopentanoate;N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-4-(4-methylpiperazin-1-yl)-6-piperidin-1-ylpyrimidin-2-amine;2-N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-6-morpholin-4-yl-4-N-piperidin-4-ylpyrimidine-2,4-diamine;2-N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-6-piperazin-1-yl-4-N-piperidin-4-ylpyrimidine-2,4-diamine;2-N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-6-piperidin-1-yl-4-N-piperidin-4-ylpyrimidine-2,4-diamine;2-N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-4-piperidin-1-ylpyrimidine-2,5-diamine;2-N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-6-piperidin-1-ylpyrimidine-2,4-diamine;ethyl 4-[2-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methylamino]-6-piperidin-1-ylpyrimidin-4-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2cc(N3CCCCC3)nc(NCc3cn(CCCNCCCC4CCCCC4)nn3)n2)CC1.CN1CCN(c2cc(N3CCCCC3)nc(NCc3cn(CCCNCCCC4CCCCC4)nn3)n2)CC1.N[C@@H](CCC(=O)N1CCC(CNc2ccnc(NCc3cn(CCCNCCCNC4CCCCC4)nn3)n2)CC1)C(=O)OCc1ccccc1.N[C@@H](CCC(=O)N1CCC(Nc2ccnc(NCc3cn(CCCNCCCNC4CCCCC4)nn3)n2)CC1)C(=O)OCC1CCCCC1.Nc1cc(N2CCCCC2)nc(NCc2cn(CCCNCCCC3CCCCC3)nn2)n1.Nc1cc(N2CCCCC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1.Nc1cnc(NCc2cn(CCCNCCCC3CCCCC3)nn2)nc1N1CCCCC1.c1c(NC2CCNCC2)nc(NCc2cn(CCCNCCCC3CCCCC3)nn2)nc1N1CCCCC1.c1c(NC2CCNCC2)nc(NCc2cn(CCCNCCCC3CCCCC3)nn2)nc1N1CCNCC1.c1c(NC2CCNCC2)nc(NCc2cn(CCCNCCCC3CCCCC3)nn2)nc1N1CCOCC1
InChIInChI=1S/C37H57N11O3.C36H61N11O3.C31H52N10O2.2C29H50N10.C28H49N11.C28H48N10O.C24H42N10.2C24H41N9/c38-33(36(50)51-28-30-9-3-1-4-10-30)13-14-35(49)47-23-16-29(17-24-47)25-42-34-15-21-41-37(44-34)43-26-32-27-48(46-45-32)22-8-19-39-18-7-20-40-31-11-5-2-6-12-31;37-32(35(49)50-27-28-9-3-1-4-10-28)13-14-34(48)46-23-16-30(17-24-46)42-33-15-21-40-36(43-33)41-25-31-26-47(45-44-31)22-8-19-38-18-7-20-39-29-11-5-2-6-12-29;1-2-43-31(42)40-21-19-39(20-22-40)29-23-28(38-16-7-4-8-17-38)34-30(35-29)33-24-27-25-41(37-36-27)18-10-15-32-14-9-13-26-11-5-3-6-12-26;1-36-18-20-38(21-19-36)28-22-27(37-15-6-3-7-16-37)32-29(33-28)31-23-26-24-39(35-34-26)17-9-14-30-13-8-12-25-10-4-2-5-11-25;1-3-9-24(10-4-1)11-7-14-30-15-8-20-39-23-26(36-37-39)22-32-29-34-27(33-25-12-16-31-17-13-25)21-28(35-29)38-18-5-2-6-19-38;1-2-6-23(7-3-1)8-4-11-29-12-5-17-39-22-25(36-37-39)21-32-28-34-26(33-24-9-13-30-14-10-24)20-27(35-28)38-18-15-31-16-19-38;1-2-6-23(7-3-1)8-4-11-29-12-5-15-38-22-25(35-36-38)21-31-28-33-26(32-24-9-13-30-14-10-24)20-27(34-28)37-16-18-39-19-17-37;25-22-17-23(33-14-5-2-6-15-33)30-24(29-22)28-18-21-19-34(32-31-21)16-8-12-26-11-7-13-27-20-9-3-1-4-10-20;25-22-17-23(32-14-5-2-6-15-32)29-24(28-22)27-18-21-19-33(31-30-21)16-8-13-26-12-7-11-20-9-3-1-4-10-20;25-22-18-28-24(29-23(22)32-14-5-2-6-15-32)27-17-21-19-33(31-30-21)16-8-13-26-12-7-11-20-9-3-1-4-10-20/h1,3-4,9-10,15,21,27,29,31,33,39-40H,2,5-8,11-14,16-20,22-26,28,38H2,(H2,41,42,43,44);15,21,26,28-30,32,38-39H,1-14,16-20,22-25,27,37H2,(H2,40,41,42,43);23,25-26,32H,2-22,24H2,1H3,(H,33,34,35);22,24-25,30H,2-21,23H2,1H3,(H,31,32,33);21,23-25,30-31H,1-20,22H2,(H2,32,33,34,35);20,22-24,29-31H,1-19,21H2,(H2,32,33,34,35);20,22-24,29-30H,1-19,21H2,(H2,31,32,33,34);17,19-20,26-27H,1-16,18H2,(H3,25,28,29,30);17,19-20,26H,1-16,18H2,(H3,25,27,28,29);18-20,26H,1-17,25H2,(H,27,28,29)/t33-;32-;;;;;;;;/m00......../s1
InChIKeyKWRVBCCUZKTVFV-GGYNGXKGSA-N
XLogP34.65
TPSA1247.59 Ų
H-Bond Donors37
H-Bond Acceptors107
Rotatable Bonds147
Heavy Atoms400
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005536.82
LogP ≤ 534.65
H-Bond Donors ≤ 537
H-Bond Acceptors ≤ 10107

Analyze benzyl (2S)-2-amino-5-[4-[[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]pyrimidin-4-yl]amino]methyl]piperidin-1-yl]-5-oxopentanoate;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-6-piperidin-1-ylpyrimidine-2,4-diamine;cyclohexylmethyl (2S)-2-amino-5-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]pyrimidin-4-yl]amino]piperidin-1-yl]-5-oxopentanoate;N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-4-(4-methylpiperazin-1-yl)-6-piperidin-1-ylpyrimidin-2-amine;2-N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-6-morpholin-4-yl-4-N-piperidin-4-ylpyrimidine-2,4-diamine;2-N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-6-piperazin-1-yl-4-N-piperidin-4-ylpyrimidine-2,4-diamine;2-N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-6-piperidin-1-yl-4-N-piperidin-4-ylpyrimidine-2,4-diamine;2-N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-4-piperidin-1-ylpyrimidine-2,5-diamine;2-N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-6-piperidin-1-ylpyrimidine-2,4-diamine;ethyl 4-[2-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methylamino]-6-piperidin-1-ylpyrimidin-4-yl]piperazine-1-carboxylate with MolForge

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Related Compounds

benzyl (2S)-2-amino-5-[4-[6-amino-2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-5-oxopentanoate;2-[4-[6-[[1-(7-cyclohexylheptyl)triazol-4-yl]methylamino]-7H-purin-2-yl]piperazin-1-yl]ethylphosphonic acid;N-[[1-(7-cyclohexylheptyl)triazol-4-yl]methyl]-2-piperazin-1-yl-7H-purin-6-amine;N'-cyclohexyl-N-[3-[4-[[(2-piperazin-1-yl-7H-purin-6-yl)amino]methyl]triazol-1-yl]propyl]propane-1,3-diamine;N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-4-(4-methylpiperazin-1-yl)-6-piperidin-1-ylpyrimidin-2-amine;ethyl 4-[2-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methylamino]-6-piperidin-1-ylpyrimidin-4-yl]piperazine-1-carboxylate
CID 160627683
benzyl (2S)-2-amino-5-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]pyrimidin-4-yl]amino]piperidin-1-yl]-5-oxopentanoate;1-[4-[[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]pyrimidin-4-yl]amino]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]pyrimidin-4-yl]amino]piperidin-1-yl]-2,2-dimethylpropan-1-one;[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]pyrimidin-4-yl]amino]piperidin-1-yl]-(1-methylcyclohexyl)methanone;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-2-N-(1H-imidazol-2-ylmethyl)-4-N-piperidin-4-ylpyrimidine-2,4-diamine;ethyl 4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 160984325
benzyl (2S)-2-amino-5-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]pyrimidin-4-yl]amino]piperidin-1-yl]-5-oxopentanoate;1-[4-[[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]pyrimidin-4-yl]amino]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]pyrimidin-4-yl]amino]piperidin-1-yl]-2,2-dimethylpropan-1-one;[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]pyrimidin-4-yl]amino]piperidin-1-yl]-(1-methylcyclohexyl)methanone;1-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]pyrimidin-4-yl]amino]piperidin-1-yl]-2,2,2-trifluoroethanone;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-2-N-(1H-imidazol-2-ylmethyl)-4-N-piperidin-4-ylpyrimidine-2,4-diamine;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-2-N-[(4-isocyanophenyl)methyl]-4-N-piperidin-4-ylpyrimidine-2,4-diamine;2-N-[[1-[3-(5-cyclohexylpentylamino)propyl]triazol-4-yl]methyl]-4-N-(piperidin-4-ylmethyl)pyrimidine-2,4-diamine;N'-cyclohexyl-N-[3-[4-[[(4-piperidin-1-ylpyrimidin-2-yl)amino]methyl]triazol-1-yl]propyl]propane-1,3-diamine;ethyl 4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 159025340
ethyl 4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 118965337
(2S)-2-amino-5-[4-[6-amino-2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-5-oxo-N-(2H-triazol-4-ylmethyl)pentanamide
CID 134368921
[(4S)-4-amino-7-[4-[6-amino-2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-3,7-dioxoheptyl]phosphonic acid
CID 158304116
cyclopentyl (2S)-2-amino-5-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]amino]piperidin-1-yl]-5-oxopentanoate
CID 118965257
(2S)-2-amino-5-[[1-[6-amino-2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]pyrimidin-4-yl]piperidin-3-yl]methylamino]-5-oxopentanoic acid
CID 118965369
cyclopentyl 2-amino-5-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]amino]piperidin-1-yl]-5-oxopentanoate
CID 155298176
(2R)-2-amino-N-benzyl-5-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]amino]piperidin-1-yl]-5-oxopentanamide
CID 118965434
benzyl 5-[4-[6-amino-2-[[1-[3-[3-(methylamino)propylamino]propyl]triazol-4-yl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-5-oxopentanoate
CID 155298117
methyl 3-[3-[4-[[[4-[[1-[3-[(2-ethoxy-2-oxoethyl)amino]propanoyl]piperidin-4-yl]amino]-6-morpholin-4-ylpyrimidin-2-yl]amino]methyl]triazol-1-yl]propoxy]propanoate
CID 167413216

Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-2-amino-5-[4-[[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]pyrimidin-4-yl]amino]methyl]piperidin-1-yl]-5-oxopentanoate;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-6-piperidin-1-ylpyrimidine-2,4-diamine;cyclohexylmethyl (2S)-2-amino-5-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]pyrimidin-4-yl]amino]piperidin-1-yl]-5-oxopentanoate;N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-4-(4-methylpiperazin-1-yl)-6-piperidin-1-ylpyrimidin-2-amine;2-N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-6-morpholin-4-yl-4-N-piperidin-4-ylpyrimidine-2,4-diamine;2-N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-6-piperazin-1-yl-4-N-piperidin-4-ylpyrimidine-2,4-diamine;2-N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-6-piperidin-1-yl-4-N-piperidin-4-ylpyrimidine-2,4-diamine;2-N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-4-piperidin-1-ylpyrimidine-2,5-diamine;2-N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-6-piperidin-1-ylpyrimidine-2,4-diamine;ethyl 4-[2-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methylamino]-6-piperidin-1-ylpyrimidin-4-yl]piperazine-1-carboxylate?
The IUPAC name of benzyl (2S)-2-amino-5-[4-[[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]pyrimidin-4-yl]amino]methyl]piperidin-1-yl]-5-oxopentanoate;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-6-piperidin-1-ylpyrimidine-2,4-diamine;cyclohexylmethyl (2S)-2-amino-5-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]pyrimidin-4-yl]amino]piperidin-1-yl]-5-oxopentanoate;N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-4-(4-methylpiperazin-1-yl)-6-piperidin-1-ylpyrimidin-2-amine;2-N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-6-morpholin-4-yl-4-N-piperidin-4-ylpyrimidine-2,4-diamine;2-N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-6-piperazin-1-yl-4-N-piperidin-4-ylpyrimidine-2,4-diamine;2-N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-6-piperidin-1-yl-4-N-piperidin-4-ylpyrimidine-2,4-diamine;2-N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-4-piperidin-1-ylpyrimidine-2,5-diamine;2-N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-6-piperidin-1-ylpyrimidine-2,4-diamine;ethyl 4-[2-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methylamino]-6-piperidin-1-ylpyrimidin-4-yl]piperazine-1-carboxylate (CID 159262603) is benzyl (2S)-2-amino-5-[4-[[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]pyrimidin-4-yl]amino]methyl]piperidin-1-yl]-5-oxopentanoate;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-6-piperidin-1-ylpyrimidine-2,4-diamine;cyclohexylmethyl (2S)-2-amino-5-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]pyrimidin-4-yl]amino]piperidin-1-yl]-5-oxopentanoate;N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-4-(4-methylpiperazin-1-yl)-6-piperidin-1-ylpyrimidin-2-amine;2-N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-6-morpholin-4-yl-4-N-piperidin-4-ylpyrimidine-2,4-diamine;2-N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-6-piperazin-1-yl-4-N-piperidin-4-ylpyrimidine-2,4-diamine;2-N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-6-piperidin-1-yl-4-N-piperidin-4-ylpyrimidine-2,4-diamine;2-N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-4-piperidin-1-ylpyrimidine-2,5-diamine;2-N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-6-piperidin-1-ylpyrimidine-2,4-diamine;ethyl 4-[2-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methylamino]-6-piperidin-1-ylpyrimidin-4-yl]piperazine-1-carboxylate.
What is the SMILES notation for benzyl (2S)-2-amino-5-[4-[[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]pyrimidin-4-yl]amino]methyl]piperidin-1-yl]-5-oxopentanoate;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-6-piperidin-1-ylpyrimidine-2,4-diamine;cyclohexylmethyl (2S)-2-amino-5-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]pyrimidin-4-yl]amino]piperidin-1-yl]-5-oxopentanoate;N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-4-(4-methylpiperazin-1-yl)-6-piperidin-1-ylpyrimidin-2-amine;2-N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-6-morpholin-4-yl-4-N-piperidin-4-ylpyrimidine-2,4-diamine;2-N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-6-piperazin-1-yl-4-N-piperidin-4-ylpyrimidine-2,4-diamine;2-N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-6-piperidin-1-yl-4-N-piperidin-4-ylpyrimidine-2,4-diamine;2-N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-4-piperidin-1-ylpyrimidine-2,5-diamine;2-N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-6-piperidin-1-ylpyrimidine-2,4-diamine;ethyl 4-[2-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methylamino]-6-piperidin-1-ylpyrimidin-4-yl]piperazine-1-carboxylate?
The canonical SMILES for benzyl (2S)-2-amino-5-[4-[[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]pyrimidin-4-yl]amino]methyl]piperidin-1-yl]-5-oxopentanoate;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-6-piperidin-1-ylpyrimidine-2,4-diamine;cyclohexylmethyl (2S)-2-amino-5-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]pyrimidin-4-yl]amino]piperidin-1-yl]-5-oxopentanoate;N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-4-(4-methylpiperazin-1-yl)-6-piperidin-1-ylpyrimidin-2-amine;2-N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-6-morpholin-4-yl-4-N-piperidin-4-ylpyrimidine-2,4-diamine;2-N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-6-piperazin-1-yl-4-N-piperidin-4-ylpyrimidine-2,4-diamine;2-N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-6-piperidin-1-yl-4-N-piperidin-4-ylpyrimidine-2,4-diamine;2-N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-4-piperidin-1-ylpyrimidine-2,5-diamine;2-N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-6-piperidin-1-ylpyrimidine-2,4-diamine;ethyl 4-[2-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methylamino]-6-piperidin-1-ylpyrimidin-4-yl]piperazine-1-carboxylate is CCOC(=O)N1CCN(c2cc(N3CCCCC3)nc(NCc3cn(CCCNCCCC4CCCCC4)nn3)n2)CC1.CN1CCN(c2cc(N3CCCCC3)nc(NCc3cn(CCCNCCCC4CCCCC4)nn3)n2)CC1.N[C@@H](CCC(=O)N1CCC(CNc2ccnc(NCc3cn(CCCNCCCNC4CCCCC4)nn3)n2)CC1)C(=O)OCc1ccccc1.N[C@@H](CCC(=O)N1CCC(Nc2ccnc(NCc3cn(CCCNCCCNC4CCCCC4)nn3)n2)CC1)C(=O)OCC1CCCCC1.Nc1cc(N2CCCCC2)nc(NCc2cn(CCCNCCCC3CCCCC3)nn2)n1.Nc1cc(N2CCCCC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1.Nc1cnc(NCc2cn(CCCNCCCC3CCCCC3)nn2)nc1N1CCCCC1.c1c(NC2CCNCC2)nc(NCc2cn(CCCNCCCC3CCCCC3)nn2)nc1N1CCCCC1.c1c(NC2CCNCC2)nc(NCc2cn(CCCNCCCC3CCCCC3)nn2)nc1N1CCNCC1.c1c(NC2CCNCC2)nc(NCc2cn(CCCNCCCC3CCCCC3)nn2)nc1N1CCOCC1.
What is the InChIKey of benzyl (2S)-2-amino-5-[4-[[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]pyrimidin-4-yl]amino]methyl]piperidin-1-yl]-5-oxopentanoate;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-6-piperidin-1-ylpyrimidine-2,4-diamine;cyclohexylmethyl (2S)-2-amino-5-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]pyrimidin-4-yl]amino]piperidin-1-yl]-5-oxopentanoate;N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-4-(4-methylpiperazin-1-yl)-6-piperidin-1-ylpyrimidin-2-amine;2-N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-6-morpholin-4-yl-4-N-piperidin-4-ylpyrimidine-2,4-diamine;2-N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-6-piperazin-1-yl-4-N-piperidin-4-ylpyrimidine-2,4-diamine;2-N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-6-piperidin-1-yl-4-N-piperidin-4-ylpyrimidine-2,4-diamine;2-N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-4-piperidin-1-ylpyrimidine-2,5-diamine;2-N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-6-piperidin-1-ylpyrimidine-2,4-diamine;ethyl 4-[2-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methylamino]-6-piperidin-1-ylpyrimidin-4-yl]piperazine-1-carboxylate?
The InChIKey is KWRVBCCUZKTVFV-GGYNGXKGSA-N. The full InChI is InChI=1S/C37H57N11O3.C36H61N11O3.C31H52N10O2.2C29H50N10.C28H49N11.C28H48N10O.C24H42N10.2C24H41N9/c38-33(36(50)51-28-30-9-3-1-4-10-30)13-14-35(49)47-23-16-29(17-24-47)25-42-34-15-21-41-37(44-34)43-26-32-27-48(46-45-32)22-8-19-39-18-7-20-40-31-11-5-2-6-12-31;37-32(35(49)50-27-28-9-3-1-4-10-28)13-14-34(48)46-23-16-30(17-24-46)42-33-15-21-40-36(43-33)41-25-31-26-47(45-44-31)22-8-19-38-18-7-20-39-29-11-5-2-6-12-29;1-2-43-31(42)40-21-19-39(20-22-40)29-23-28(38-16-7-4-8-17-38)34-30(35-29)33-24-27-25-41(37-36-27)18-10-15-32-14-9-13-26-11-5-3-6-12-26;1-36-18-20-38(21-19-36)28-22-27(37-15-6-3-7-16-37)32-29(33-28)31-23-26-24-39(35-34-26)17-9-14-30-13-8-12-25-10-4-2-5-11-25;1-3-9-24(10-4-1)11-7-14-30-15-8-20-39-23-26(36-37-39)22-32-29-34-27(33-25-12-16-31-17-13-25)21-28(35-29)38-18-5-2-6-19-38;1-2-6-23(7-3-1)8-4-11-29-12-5-17-39-22-25(36-37-39)21-32-28-34-26(33-24-9-13-30-14-10-24)20-27(35-28)38-18-15-31-16-19-38;1-2-6-23(7-3-1)8-4-11-29-12-5-15-38-22-25(35-36-38)21-31-28-33-26(32-24-9-13-30-14-10-24)20-27(34-28)37-16-18-39-19-17-37;25-22-17-23(33-14-5-2-6-15-33)30-24(29-22)28-18-21-19-34(32-31-21)16-8-12-26-11-7-13-27-20-9-3-1-4-10-20;25-22-17-23(32-14-5-2-6-15-32)29-24(28-22)27-18-21-19-33(31-30-21)16-8-13-26-12-7-11-20-9-3-1-4-10-20;25-22-18-28-24(29-23(22)32-14-5-2-6-15-32)27-17-21-19-33(31-30-21)16-8-13-26-12-7-11-20-9-3-1-4-10-20/h1,3-4,9-10,15,21,27,29,31,33,39-40H,2,5-8,11-14,16-20,22-26,28,38H2,(H2,41,42,43,44);15,21,26,28-30,32,38-39H,1-14,16-20,22-25,27,37H2,(H2,40,41,42,43);23,25-26,32H,2-22,24H2,1H3,(H,33,34,35);22,24-25,30H,2-21,23H2,1H3,(H,31,32,33);21,23-25,30-31H,1-20,22H2,(H2,32,33,34,35);20,22-24,29-31H,1-19,21H2,(H2,32,33,34,35);20,22-24,29-30H,1-19,21H2,(H2,31,32,33,34);17,19-20,26-27H,1-16,18H2,(H3,25,28,29,30);17,19-20,26H,1-16,18H2,(H3,25,27,28,29);18-20,26H,1-17,25H2,(H,27,28,29)/t33-;32-;;;;;;;;/m00......../s1.
What are the key properties of benzyl (2S)-2-amino-5-[4-[[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]pyrimidin-4-yl]amino]methyl]piperidin-1-yl]-5-oxopentanoate;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-6-piperidin-1-ylpyrimidine-2,4-diamine;cyclohexylmethyl (2S)-2-amino-5-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]pyrimidin-4-yl]amino]piperidin-1-yl]-5-oxopentanoate;N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-4-(4-methylpiperazin-1-yl)-6-piperidin-1-ylpyrimidin-2-amine;2-N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-6-morpholin-4-yl-4-N-piperidin-4-ylpyrimidine-2,4-diamine;2-N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-6-piperazin-1-yl-4-N-piperidin-4-ylpyrimidine-2,4-diamine;2-N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-6-piperidin-1-yl-4-N-piperidin-4-ylpyrimidine-2,4-diamine;2-N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-4-piperidin-1-ylpyrimidine-2,5-diamine;2-N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-6-piperidin-1-ylpyrimidine-2,4-diamine;ethyl 4-[2-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methylamino]-6-piperidin-1-ylpyrimidin-4-yl]piperazine-1-carboxylate?
benzyl (2S)-2-amino-5-[4-[[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]pyrimidin-4-yl]amino]methyl]piperidin-1-yl]-5-oxopentanoate;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-6-piperidin-1-ylpyrimidine-2,4-diamine;cyclohexylmethyl (2S)-2-amino-5-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]pyrimidin-4-yl]amino]piperidin-1-yl]-5-oxopentanoate;N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-4-(4-methylpiperazin-1-yl)-6-piperidin-1-ylpyrimidin-2-amine;2-N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-6-morpholin-4-yl-4-N-piperidin-4-ylpyrimidine-2,4-diamine;2-N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-6-piperazin-1-yl-4-N-piperidin-4-ylpyrimidine-2,4-diamine;2-N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-6-piperidin-1-yl-4-N-piperidin-4-ylpyrimidine-2,4-diamine;2-N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-4-piperidin-1-ylpyrimidine-2,5-diamine;2-N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-6-piperidin-1-ylpyrimidine-2,4-diamine;ethyl 4-[2-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methylamino]-6-piperidin-1-ylpyrimidin-4-yl]piperazine-1-carboxylate has a molecular weight of 5536.82 g/mol, XLogP of 34.65, 147 rotatable bonds, 37 hydrogen bond donors, and 107 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S)-2-amino-5-[4-[[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]pyrimidin-4-yl]amino]methyl]piperidin-1-yl]-5-oxopentanoate;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-6-piperidin-1-ylpyrimidine-2,4-diamine;cyclohexylmethyl (2S)-2-amino-5-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]pyrimidin-4-yl]amino]piperidin-1-yl]-5-oxopentanoate;N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-4-(4-methylpiperazin-1-yl)-6-piperidin-1-ylpyrimidin-2-amine;2-N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-6-morpholin-4-yl-4-N-piperidin-4-ylpyrimidine-2,4-diamine;2-N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-6-piperazin-1-yl-4-N-piperidin-4-ylpyrimidine-2,4-diamine;2-N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-6-piperidin-1-yl-4-N-piperidin-4-ylpyrimidine-2,4-diamine;2-N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-4-piperidin-1-ylpyrimidine-2,5-diamine;2-N-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methyl]-6-piperidin-1-ylpyrimidine-2,4-diamine;ethyl 4-[2-[[1-[3-(3-cyclohexylpropylamino)propyl]triazol-4-yl]methylamino]-6-piperidin-1-ylpyrimidin-4-yl]piperazine-1-carboxylate is sourced from PubChem (CID 159262603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).