(2S)-2-amino-5-[3-(cyclohexylamino)propyl-[3-[4-[[[4-(piperidin-4-ylamino)quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]amino]-5-oxopentanoic acid;1-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]amino]piperidin-1-yl]-2,2,2-trifluoroethanone;1-[4-[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]piperazin-1-yl]butane-1-thione;1-[4-[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]piperazin-1-yl]-2-phenylethanone;1-[4-[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]piperazin-1-yl]-2,2,2-trifluoroethanone;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-2-N-[(4-isocyanophenyl)methyl]-4-N-piperidin-4-ylquinazoline-2,4-diamine;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-(1-pentylpiperidin-4-yl)quinazoline-2,4-diamine;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]quinazoline-2,4-diamine;N'-cyclohexyl-N-[3-[4-[[[4-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]propane-1,3-diamine;methyl 4-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]amino]piperidin-1-yl]butanoate

C331H486F6N104O8S — CID 158101264

IUPAC(2S)-2-amino-5-[3-(cyclohexylamino)propyl-[3-[4-[[[4-(piperidin-4-ylamino)quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]amino]-5-oxopentanoic acid;1-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]amino]piperidin-1-yl]-2,2,2-trifluoroethanone;1-[4-[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]piperazin-1-yl]butane-1-thione;1-[4-[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]piperazin-1-yl]-2-phenylethanone;1-[4-[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]piperazin-1-yl]-2,2,2-trifluoroethanone;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-2-N-[(4-isocyanophenyl)methyl]-4-N-piperidin-4-ylquinazoline-2,4-diamine;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-(1-pentylpiperidin-4-yl)quinazoline-2,4-diamine;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]quinazoline-2,4-diamine;N'-cyclohexyl-N-[3-[4-[[[4-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]propane-1,3-diamine;methyl 4-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]amino]piperidin-1-yl]butanoate
SMILESCCCC(=S)N1CCN(c2nc(NCc3cn(CCCNCCCNC4CCCCC4)nn3)nc3ccccc23)CC1.CCCCCN1CCC(Nc2nc(NCc3cn(CCCNCCCNC4CCCCC4)nn3)nc3ccccc23)CC1.COC(=O)CCCN1CCC(Nc2nc(NCc3cn(CCCNCCCNC4CCCCC4)nn3)nc3ccccc23)CC1.N[C@@H](CCC(=O)N(CCCNC1CCCCC1)CCCn1cc(CNc2nc(NC3CCNCC3)c3ccccc3n2)nn1)C(=O)O.O=C(Cc1ccccc1)N1CCN(c2nc(NCc3cn(CCCNCCCNC4CCCCC4)nn3)nc3ccccc23)CC1.O=C(N1CCC(Nc2nc(NCc3cn(CCCNCCCNC4CCCCC4)nn3)nc3ccccc23)CC1)C(F)(F)F.O=C(N1CCN(c2nc(NCc3cn(CCCNCCCNC4CCCCC4)nn3)nc3ccccc23)CC1)C(F)(F)F.[C-]#[N+]c1ccc(CN(Cc2cn(CCCNCCCNC3CCCCC3)nn2)c2nc(NC3CCNCC3)c3ccccc3n2)cc1.c1ccc(CN2CCC(Nc3nc(NCc4cn(CCCNCCCNC5CCCCC5)nn4)nc4ccccc34)CC2)nc1.c1ccc2c(N3CCN(CCc4c[nH]c5ccccc45)CC3)nc(NCc3cn(CCCNCCCNC4CCCCC4)nn3)nc2c1
InChIInChI=1S/C37H51N11.C36H49N11.C35H48N10O.C34H49N11.C33H51N11O3.C33H52N10O2.C33H54N10.C31H48N10S.C30H43F3N10O.C29H41F3N10O/c1-2-10-30(11-3-1)39-19-8-17-38-18-9-20-48-28-31(44-45-48)27-41-37-42-35-15-7-5-13-33(35)36(43-37)47-24-22-46(23-25-47)21-16-29-26-40-34-14-6-4-12-32(29)34;1-37-29-15-13-28(14-16-29)25-46(36-42-34-12-6-5-11-33(34)35(43-36)41-31-17-22-39-23-18-31)26-32-27-47(45-44-32)24-8-20-38-19-7-21-40-30-9-3-2-4-10-30;46-33(25-28-11-3-1-4-12-28)43-21-23-44(24-22-43)34-31-15-7-8-16-32(31)39-35(40-34)38-26-30-27-45(42-41-30)20-10-18-36-17-9-19-37-29-13-5-2-6-14-29;1-2-10-27(11-3-1)36-20-8-17-35-18-9-21-45-26-30(42-43-45)24-38-34-40-32-14-5-4-13-31(32)33(41-34)39-28-15-22-44(23-16-28)25-29-12-6-7-19-37-29;34-28(32(46)47)12-13-30(45)43(19-6-16-36-24-8-2-1-3-9-24)20-7-21-44-23-26(41-42-44)22-37-33-39-29-11-5-4-10-27(29)31(40-33)38-25-14-17-35-18-15-25;1-45-31(44)14-7-20-42-22-15-27(16-23-42)37-32-29-12-5-6-13-30(29)38-33(39-32)36-24-28-25-43(41-40-28)21-9-18-34-17-8-19-35-26-10-3-2-4-11-26;1-2-3-9-21-42-23-16-28(17-24-42)37-32-30-14-7-8-15-31(30)38-33(39-32)36-25-29-26-43(41-40-29)22-11-19-34-18-10-20-35-27-12-5-4-6-13-27;1-2-10-29(42)39-19-21-40(22-20-39)30-27-13-6-7-14-28(27)35-31(36-30)34-23-26-24-41(38-37-26)18-9-16-32-15-8-17-33-25-11-4-3-5-12-25;31-30(32,33)28(44)42-18-12-23(13-19-42)37-27-25-10-4-5-11-26(25)38-29(39-27)36-20-24-21-43(41-40-24)17-7-15-34-14-6-16-35-22-8-2-1-3-9-22;30-29(31,32)27(43)41-18-16-40(17-19-41)26-24-10-4-5-11-25(24)36-28(37-26)35-20-23-21-42(39-38-23)15-7-13-33-12-6-14-34-22-8-2-1-3-9-22/h4-7,12-15,26,28,30,38-40H,1-3,8-11,16-25,27H2,(H,41,42,43);5-6,11-16,27,30-31,38-40H,2-4,7-10,17-26H2,(H,41,42,43);1,3-4,7-8,11-12,15-16,27,29,36-37H,2,5-6,9-10,13-14,17-26H2,(H,38,39,40);4-7,12-14,19,26-28,35-36H,1-3,8-11,15-18,20-25H2,(H2,38,39,40,41);4-5,10-11,23-25,28,35-36H,1-3,6-9,12-22,34H2,(H,46,47)(H2,37,38,39,40);5-6,12-13,25-27,34-35H,2-4,7-11,14-24H2,1H3,(H2,36,37,38,39);7-8,14-15,26-28,34-35H,2-6,9-13,16-25H2,1H3,(H2,36,37,38,39);6-7,13-14,24-25,32-33H,2-5,8-12,15-23H2,1H3,(H,34,35,36);4-5,10-11,21-23,34-35H,1-3,6-9,12-20H2,(H2,36,37,38,39);4-5,10-11,21-22,33-34H,1-3,6-9,12-20H2,(H,35,36,37)/t;;;;28-;;;;;/m....0...../s1
InChIKeyFPHASEQSNONXIO-HGSNRDEBSA-N
MW6196.30 g/mol
LogP42.69
Rot. Bonds159

About (2S)-2-amino-5-[3-(cyclohexylamino)propyl-[3-[4-[[[4-(piperidin-4-ylamino)quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]amino]-5-oxopentanoic acid;1-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]amino]piperidin-1-yl]-2,2,2-trifluoroethanone;1-[4-[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]piperazin-1-yl]butane-1-thione;1-[4-[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]piperazin-1-yl]-2-phenylethanone;1-[4-[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]piperazin-1-yl]-2,2,2-trifluoroethanone;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-2-N-[(4-isocyanophenyl)methyl]-4-N-piperidin-4-ylquinazoline-2,4-diamine;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-(1-pentylpiperidin-4-yl)quinazoline-2,4-diamine;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]quinazoline-2,4-diamine;N'-cyclohexyl-N-[3-[4-[[[4-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]propane-1,3-diamine;methyl 4-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]amino]piperidin-1-yl]butanoate

(2S)-2-amino-5-[3-(cyclohexylamino)propyl-[3-[4-[[[4-(piperidin-4-ylamino)quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]amino]-5-oxopentanoic acid;1-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]amino]piperidin-1-yl]-2,2,2-trifluoroethanone;1-[4-[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]piperazin-1-yl]butane-1-thione;1-[4-[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]piperazin-1-yl]-2-phenylethanone;1-[4-[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]piperazin-1-yl]-2,2,2-trifluoroethanone;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-2-N-[(4-isocyanophenyl)methyl]-4-N-piperidin-4-ylquinazoline-2,4-diamine;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-(1-pentylpiperidin-4-yl)quinazoline-2,4-diamine;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]quinazoline-2,4-diamine;N'-cyclohexyl-N-[3-[4-[[[4-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]propane-1,3-diamine;methyl 4-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]amino]piperidin-1-yl]butanoate (PubChem CID 158101264) has the molecular formula C331H486F6N104O8S and a molecular weight of 6196.30 g/mol. Its IUPAC name is (2S)-2-amino-5-[3-(cyclohexylamino)propyl-[3-[4-[[[4-(piperidin-4-ylamino)quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]amino]-5-oxopentanoic acid;1-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]amino]piperidin-1-yl]-2,2,2-trifluoroethanone;1-[4-[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]piperazin-1-yl]butane-1-thione;1-[4-[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]piperazin-1-yl]-2-phenylethanone;1-[4-[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]piperazin-1-yl]-2,2,2-trifluoroethanone;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-2-N-[(4-isocyanophenyl)methyl]-4-N-piperidin-4-ylquinazoline-2,4-diamine;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-(1-pentylpiperidin-4-yl)quinazoline-2,4-diamine;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]quinazoline-2,4-diamine;N'-cyclohexyl-N-[3-[4-[[[4-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]propane-1,3-diamine;methyl 4-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]amino]piperidin-1-yl]butanoate.

Molecular Properties

Compound Name(2S)-2-amino-5-[3-(cyclohexylamino)propyl-[3-[4-[[[4-(piperidin-4-ylamino)quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]amino]-5-oxopentanoic acid;1-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]amino]piperidin-1-yl]-2,2,2-trifluoroethanone;1-[4-[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]piperazin-1-yl]butane-1-thione;1-[4-[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]piperazin-1-yl]-2-phenylethanone;1-[4-[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]piperazin-1-yl]-2,2,2-trifluoroethanone;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-2-N-[(4-isocyanophenyl)methyl]-4-N-piperidin-4-ylquinazoline-2,4-diamine;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-(1-pentylpiperidin-4-yl)quinazoline-2,4-diamine;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]quinazoline-2,4-diamine;N'-cyclohexyl-N-[3-[4-[[[4-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]propane-1,3-diamine;methyl 4-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]amino]piperidin-1-yl]butanoate
PubChem CID158101264
Molecular FormulaC331H486F6N104O8S
Molecular Weight6196.30 g/mol
Exact Mass6192.04
IUPAC Name(2S)-2-amino-5-[3-(cyclohexylamino)propyl-[3-[4-[[[4-(piperidin-4-ylamino)quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]amino]-5-oxopentanoic acid;1-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]amino]piperidin-1-yl]-2,2,2-trifluoroethanone;1-[4-[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]piperazin-1-yl]butane-1-thione;1-[4-[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]piperazin-1-yl]-2-phenylethanone;1-[4-[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]piperazin-1-yl]-2,2,2-trifluoroethanone;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-2-N-[(4-isocyanophenyl)methyl]-4-N-piperidin-4-ylquinazoline-2,4-diamine;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-(1-pentylpiperidin-4-yl)quinazoline-2,4-diamine;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]quinazoline-2,4-diamine;N'-cyclohexyl-N-[3-[4-[[[4-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]propane-1,3-diamine;methyl 4-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]amino]piperidin-1-yl]butanoate
SMILESCCCC(=S)N1CCN(c2nc(NCc3cn(CCCNCCCNC4CCCCC4)nn3)nc3ccccc23)CC1.CCCCCN1CCC(Nc2nc(NCc3cn(CCCNCCCNC4CCCCC4)nn3)nc3ccccc23)CC1.COC(=O)CCCN1CCC(Nc2nc(NCc3cn(CCCNCCCNC4CCCCC4)nn3)nc3ccccc23)CC1.N[C@@H](CCC(=O)N(CCCNC1CCCCC1)CCCn1cc(CNc2nc(NC3CCNCC3)c3ccccc3n2)nn1)C(=O)O.O=C(Cc1ccccc1)N1CCN(c2nc(NCc3cn(CCCNCCCNC4CCCCC4)nn3)nc3ccccc23)CC1.O=C(N1CCC(Nc2nc(NCc3cn(CCCNCCCNC4CCCCC4)nn3)nc3ccccc23)CC1)C(F)(F)F.O=C(N1CCN(c2nc(NCc3cn(CCCNCCCNC4CCCCC4)nn3)nc3ccccc23)CC1)C(F)(F)F.[C-]#[N+]c1ccc(CN(Cc2cn(CCCNCCCNC3CCCCC3)nn2)c2nc(NC3CCNCC3)c3ccccc3n2)cc1.c1ccc(CN2CCC(Nc3nc(NCc4cn(CCCNCCCNC5CCCCC5)nn4)nc4ccccc34)CC2)nc1.c1ccc2c(N3CCN(CCc4c[nH]c5ccccc45)CC3)nc(NCc3cn(CCCNCCCNC4CCCCC4)nn3)nc2c1
InChIInChI=1S/C37H51N11.C36H49N11.C35H48N10O.C34H49N11.C33H51N11O3.C33H52N10O2.C33H54N10.C31H48N10S.C30H43F3N10O.C29H41F3N10O/c1-2-10-30(11-3-1)39-19-8-17-38-18-9-20-48-28-31(44-45-48)27-41-37-42-35-15-7-5-13-33(35)36(43-37)47-24-22-46(23-25-47)21-16-29-26-40-34-14-6-4-12-32(29)34;1-37-29-15-13-28(14-16-29)25-46(36-42-34-12-6-5-11-33(34)35(43-36)41-31-17-22-39-23-18-31)26-32-27-47(45-44-32)24-8-20-38-19-7-21-40-30-9-3-2-4-10-30;46-33(25-28-11-3-1-4-12-28)43-21-23-44(24-22-43)34-31-15-7-8-16-32(31)39-35(40-34)38-26-30-27-45(42-41-30)20-10-18-36-17-9-19-37-29-13-5-2-6-14-29;1-2-10-27(11-3-1)36-20-8-17-35-18-9-21-45-26-30(42-43-45)24-38-34-40-32-14-5-4-13-31(32)33(41-34)39-28-15-22-44(23-16-28)25-29-12-6-7-19-37-29;34-28(32(46)47)12-13-30(45)43(19-6-16-36-24-8-2-1-3-9-24)20-7-21-44-23-26(41-42-44)22-37-33-39-29-11-5-4-10-27(29)31(40-33)38-25-14-17-35-18-15-25;1-45-31(44)14-7-20-42-22-15-27(16-23-42)37-32-29-12-5-6-13-30(29)38-33(39-32)36-24-28-25-43(41-40-28)21-9-18-34-17-8-19-35-26-10-3-2-4-11-26;1-2-3-9-21-42-23-16-28(17-24-42)37-32-30-14-7-8-15-31(30)38-33(39-32)36-25-29-26-43(41-40-29)22-11-19-34-18-10-20-35-27-12-5-4-6-13-27;1-2-10-29(42)39-19-21-40(22-20-39)30-27-13-6-7-14-28(27)35-31(36-30)34-23-26-24-41(38-37-26)18-9-16-32-15-8-17-33-25-11-4-3-5-12-25;31-30(32,33)28(44)42-18-12-23(13-19-42)37-27-25-10-4-5-11-26(25)38-29(39-27)36-20-24-21-43(41-40-24)17-7-15-34-14-6-16-35-22-8-2-1-3-9-22;30-29(31,32)27(43)41-18-16-40(17-19-41)26-24-10-4-5-11-25(24)36-28(37-26)35-20-23-21-42(39-38-23)15-7-13-33-12-6-14-34-22-8-2-1-3-9-22/h4-7,12-15,26,28,30,38-40H,1-3,8-11,16-25,27H2,(H,41,42,43);5-6,11-16,27,30-31,38-40H,2-4,7-10,17-26H2,(H,41,42,43);1,3-4,7-8,11-12,15-16,27,29,36-37H,2,5-6,9-10,13-14,17-26H2,(H,38,39,40);4-7,12-14,19,26-28,35-36H,1-3,8-11,15-18,20-25H2,(H2,38,39,40,41);4-5,10-11,23-25,28,35-36H,1-3,6-9,12-22,34H2,(H,46,47)(H2,37,38,39,40);5-6,12-13,25-27,34-35H,2-4,7-11,14-24H2,1H3,(H2,36,37,38,39);7-8,14-15,26-28,34-35H,2-6,9-13,16-25H2,1H3,(H2,36,37,38,39);6-7,13-14,24-25,32-33H,2-5,8-12,15-23H2,1H3,(H,34,35,36);4-5,10-11,21-23,34-35H,1-3,6-9,12-20H2,(H2,36,37,38,39);4-5,10-11,21-22,33-34H,1-3,6-9,12-20H2,(H,35,36,37)/t;;;;28-;;;;;/m....0...../s1
InChIKeyFPHASEQSNONXIO-HGSNRDEBSA-N
XLogP42.69
TPSA1234.28 Ų
H-Bond Donors39
H-Bond Acceptors105
Rotatable Bonds159
Heavy Atoms450
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5006196.30
LogP ≤ 542.69
H-Bond Donors ≤ 539
H-Bond Acceptors ≤ 10105

Analyze (2S)-2-amino-5-[3-(cyclohexylamino)propyl-[3-[4-[[[4-(piperidin-4-ylamino)quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]amino]-5-oxopentanoic acid;1-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]amino]piperidin-1-yl]-2,2,2-trifluoroethanone;1-[4-[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]piperazin-1-yl]butane-1-thione;1-[4-[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]piperazin-1-yl]-2-phenylethanone;1-[4-[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]piperazin-1-yl]-2,2,2-trifluoroethanone;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-2-N-[(4-isocyanophenyl)methyl]-4-N-piperidin-4-ylquinazoline-2,4-diamine;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-(1-pentylpiperidin-4-yl)quinazoline-2,4-diamine;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]quinazoline-2,4-diamine;N'-cyclohexyl-N-[3-[4-[[[4-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]propane-1,3-diamine;methyl 4-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]amino]piperidin-1-yl]butanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-[3-(cyclohexylamino)propyl-[3-[4-[[[4-(piperidin-4-ylamino)quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]amino]-5-oxopentanoic acid;1-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]amino]piperidin-1-yl]-2,2,2-trifluoroethanone;1-[4-[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]piperazin-1-yl]butane-1-thione;1-[4-[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]piperazin-1-yl]-2-phenylethanone;1-[4-[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]piperazin-1-yl]-2,2,2-trifluoroethanone;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-2-N-[(4-isocyanophenyl)methyl]-4-N-piperidin-4-ylquinazoline-2,4-diamine;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-(1-pentylpiperidin-4-yl)quinazoline-2,4-diamine;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]quinazoline-2,4-diamine;N'-cyclohexyl-N-[3-[4-[[[4-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]propane-1,3-diamine;methyl 4-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]amino]piperidin-1-yl]butanoate?
The IUPAC name of (2S)-2-amino-5-[3-(cyclohexylamino)propyl-[3-[4-[[[4-(piperidin-4-ylamino)quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]amino]-5-oxopentanoic acid;1-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]amino]piperidin-1-yl]-2,2,2-trifluoroethanone;1-[4-[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]piperazin-1-yl]butane-1-thione;1-[4-[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]piperazin-1-yl]-2-phenylethanone;1-[4-[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]piperazin-1-yl]-2,2,2-trifluoroethanone;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-2-N-[(4-isocyanophenyl)methyl]-4-N-piperidin-4-ylquinazoline-2,4-diamine;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-(1-pentylpiperidin-4-yl)quinazoline-2,4-diamine;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]quinazoline-2,4-diamine;N'-cyclohexyl-N-[3-[4-[[[4-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]propane-1,3-diamine;methyl 4-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]amino]piperidin-1-yl]butanoate (CID 158101264) is (2S)-2-amino-5-[3-(cyclohexylamino)propyl-[3-[4-[[[4-(piperidin-4-ylamino)quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]amino]-5-oxopentanoic acid;1-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]amino]piperidin-1-yl]-2,2,2-trifluoroethanone;1-[4-[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]piperazin-1-yl]butane-1-thione;1-[4-[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]piperazin-1-yl]-2-phenylethanone;1-[4-[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]piperazin-1-yl]-2,2,2-trifluoroethanone;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-2-N-[(4-isocyanophenyl)methyl]-4-N-piperidin-4-ylquinazoline-2,4-diamine;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-(1-pentylpiperidin-4-yl)quinazoline-2,4-diamine;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]quinazoline-2,4-diamine;N'-cyclohexyl-N-[3-[4-[[[4-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]propane-1,3-diamine;methyl 4-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]amino]piperidin-1-yl]butanoate.
What is the SMILES notation for (2S)-2-amino-5-[3-(cyclohexylamino)propyl-[3-[4-[[[4-(piperidin-4-ylamino)quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]amino]-5-oxopentanoic acid;1-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]amino]piperidin-1-yl]-2,2,2-trifluoroethanone;1-[4-[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]piperazin-1-yl]butane-1-thione;1-[4-[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]piperazin-1-yl]-2-phenylethanone;1-[4-[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]piperazin-1-yl]-2,2,2-trifluoroethanone;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-2-N-[(4-isocyanophenyl)methyl]-4-N-piperidin-4-ylquinazoline-2,4-diamine;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-(1-pentylpiperidin-4-yl)quinazoline-2,4-diamine;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]quinazoline-2,4-diamine;N'-cyclohexyl-N-[3-[4-[[[4-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]propane-1,3-diamine;methyl 4-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]amino]piperidin-1-yl]butanoate?
The canonical SMILES for (2S)-2-amino-5-[3-(cyclohexylamino)propyl-[3-[4-[[[4-(piperidin-4-ylamino)quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]amino]-5-oxopentanoic acid;1-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]amino]piperidin-1-yl]-2,2,2-trifluoroethanone;1-[4-[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]piperazin-1-yl]butane-1-thione;1-[4-[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]piperazin-1-yl]-2-phenylethanone;1-[4-[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]piperazin-1-yl]-2,2,2-trifluoroethanone;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-2-N-[(4-isocyanophenyl)methyl]-4-N-piperidin-4-ylquinazoline-2,4-diamine;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-(1-pentylpiperidin-4-yl)quinazoline-2,4-diamine;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]quinazoline-2,4-diamine;N'-cyclohexyl-N-[3-[4-[[[4-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]propane-1,3-diamine;methyl 4-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]amino]piperidin-1-yl]butanoate is CCCC(=S)N1CCN(c2nc(NCc3cn(CCCNCCCNC4CCCCC4)nn3)nc3ccccc23)CC1.CCCCCN1CCC(Nc2nc(NCc3cn(CCCNCCCNC4CCCCC4)nn3)nc3ccccc23)CC1.COC(=O)CCCN1CCC(Nc2nc(NCc3cn(CCCNCCCNC4CCCCC4)nn3)nc3ccccc23)CC1.N[C@@H](CCC(=O)N(CCCNC1CCCCC1)CCCn1cc(CNc2nc(NC3CCNCC3)c3ccccc3n2)nn1)C(=O)O.O=C(Cc1ccccc1)N1CCN(c2nc(NCc3cn(CCCNCCCNC4CCCCC4)nn3)nc3ccccc23)CC1.O=C(N1CCC(Nc2nc(NCc3cn(CCCNCCCNC4CCCCC4)nn3)nc3ccccc23)CC1)C(F)(F)F.O=C(N1CCN(c2nc(NCc3cn(CCCNCCCNC4CCCCC4)nn3)nc3ccccc23)CC1)C(F)(F)F.[C-]#[N+]c1ccc(CN(Cc2cn(CCCNCCCNC3CCCCC3)nn2)c2nc(NC3CCNCC3)c3ccccc3n2)cc1.c1ccc(CN2CCC(Nc3nc(NCc4cn(CCCNCCCNC5CCCCC5)nn4)nc4ccccc34)CC2)nc1.c1ccc2c(N3CCN(CCc4c[nH]c5ccccc45)CC3)nc(NCc3cn(CCCNCCCNC4CCCCC4)nn3)nc2c1.
What is the InChIKey of (2S)-2-amino-5-[3-(cyclohexylamino)propyl-[3-[4-[[[4-(piperidin-4-ylamino)quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]amino]-5-oxopentanoic acid;1-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]amino]piperidin-1-yl]-2,2,2-trifluoroethanone;1-[4-[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]piperazin-1-yl]butane-1-thione;1-[4-[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]piperazin-1-yl]-2-phenylethanone;1-[4-[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]piperazin-1-yl]-2,2,2-trifluoroethanone;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-2-N-[(4-isocyanophenyl)methyl]-4-N-piperidin-4-ylquinazoline-2,4-diamine;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-(1-pentylpiperidin-4-yl)quinazoline-2,4-diamine;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]quinazoline-2,4-diamine;N'-cyclohexyl-N-[3-[4-[[[4-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]propane-1,3-diamine;methyl 4-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]amino]piperidin-1-yl]butanoate?
The InChIKey is FPHASEQSNONXIO-HGSNRDEBSA-N. The full InChI is InChI=1S/C37H51N11.C36H49N11.C35H48N10O.C34H49N11.C33H51N11O3.C33H52N10O2.C33H54N10.C31H48N10S.C30H43F3N10O.C29H41F3N10O/c1-2-10-30(11-3-1)39-19-8-17-38-18-9-20-48-28-31(44-45-48)27-41-37-42-35-15-7-5-13-33(35)36(43-37)47-24-22-46(23-25-47)21-16-29-26-40-34-14-6-4-12-32(29)34;1-37-29-15-13-28(14-16-29)25-46(36-42-34-12-6-5-11-33(34)35(43-36)41-31-17-22-39-23-18-31)26-32-27-47(45-44-32)24-8-20-38-19-7-21-40-30-9-3-2-4-10-30;46-33(25-28-11-3-1-4-12-28)43-21-23-44(24-22-43)34-31-15-7-8-16-32(31)39-35(40-34)38-26-30-27-45(42-41-30)20-10-18-36-17-9-19-37-29-13-5-2-6-14-29;1-2-10-27(11-3-1)36-20-8-17-35-18-9-21-45-26-30(42-43-45)24-38-34-40-32-14-5-4-13-31(32)33(41-34)39-28-15-22-44(23-16-28)25-29-12-6-7-19-37-29;34-28(32(46)47)12-13-30(45)43(19-6-16-36-24-8-2-1-3-9-24)20-7-21-44-23-26(41-42-44)22-37-33-39-29-11-5-4-10-27(29)31(40-33)38-25-14-17-35-18-15-25;1-45-31(44)14-7-20-42-22-15-27(16-23-42)37-32-29-12-5-6-13-30(29)38-33(39-32)36-24-28-25-43(41-40-28)21-9-18-34-17-8-19-35-26-10-3-2-4-11-26;1-2-3-9-21-42-23-16-28(17-24-42)37-32-30-14-7-8-15-31(30)38-33(39-32)36-25-29-26-43(41-40-29)22-11-19-34-18-10-20-35-27-12-5-4-6-13-27;1-2-10-29(42)39-19-21-40(22-20-39)30-27-13-6-7-14-28(27)35-31(36-30)34-23-26-24-41(38-37-26)18-9-16-32-15-8-17-33-25-11-4-3-5-12-25;31-30(32,33)28(44)42-18-12-23(13-19-42)37-27-25-10-4-5-11-26(25)38-29(39-27)36-20-24-21-43(41-40-24)17-7-15-34-14-6-16-35-22-8-2-1-3-9-22;30-29(31,32)27(43)41-18-16-40(17-19-41)26-24-10-4-5-11-25(24)36-28(37-26)35-20-23-21-42(39-38-23)15-7-13-33-12-6-14-34-22-8-2-1-3-9-22/h4-7,12-15,26,28,30,38-40H,1-3,8-11,16-25,27H2,(H,41,42,43);5-6,11-16,27,30-31,38-40H,2-4,7-10,17-26H2,(H,41,42,43);1,3-4,7-8,11-12,15-16,27,29,36-37H,2,5-6,9-10,13-14,17-26H2,(H,38,39,40);4-7,12-14,19,26-28,35-36H,1-3,8-11,15-18,20-25H2,(H2,38,39,40,41);4-5,10-11,23-25,28,35-36H,1-3,6-9,12-22,34H2,(H,46,47)(H2,37,38,39,40);5-6,12-13,25-27,34-35H,2-4,7-11,14-24H2,1H3,(H2,36,37,38,39);7-8,14-15,26-28,34-35H,2-6,9-13,16-25H2,1H3,(H2,36,37,38,39);6-7,13-14,24-25,32-33H,2-5,8-12,15-23H2,1H3,(H,34,35,36);4-5,10-11,21-23,34-35H,1-3,6-9,12-20H2,(H2,36,37,38,39);4-5,10-11,21-22,33-34H,1-3,6-9,12-20H2,(H,35,36,37)/t;;;;28-;;;;;/m....0...../s1.
What are the key properties of (2S)-2-amino-5-[3-(cyclohexylamino)propyl-[3-[4-[[[4-(piperidin-4-ylamino)quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]amino]-5-oxopentanoic acid;1-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]amino]piperidin-1-yl]-2,2,2-trifluoroethanone;1-[4-[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]piperazin-1-yl]butane-1-thione;1-[4-[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]piperazin-1-yl]-2-phenylethanone;1-[4-[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]piperazin-1-yl]-2,2,2-trifluoroethanone;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-2-N-[(4-isocyanophenyl)methyl]-4-N-piperidin-4-ylquinazoline-2,4-diamine;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-(1-pentylpiperidin-4-yl)quinazoline-2,4-diamine;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]quinazoline-2,4-diamine;N'-cyclohexyl-N-[3-[4-[[[4-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]propane-1,3-diamine;methyl 4-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]amino]piperidin-1-yl]butanoate?
(2S)-2-amino-5-[3-(cyclohexylamino)propyl-[3-[4-[[[4-(piperidin-4-ylamino)quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]amino]-5-oxopentanoic acid;1-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]amino]piperidin-1-yl]-2,2,2-trifluoroethanone;1-[4-[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]piperazin-1-yl]butane-1-thione;1-[4-[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]piperazin-1-yl]-2-phenylethanone;1-[4-[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]piperazin-1-yl]-2,2,2-trifluoroethanone;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-2-N-[(4-isocyanophenyl)methyl]-4-N-piperidin-4-ylquinazoline-2,4-diamine;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-(1-pentylpiperidin-4-yl)quinazoline-2,4-diamine;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]quinazoline-2,4-diamine;N'-cyclohexyl-N-[3-[4-[[[4-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]propane-1,3-diamine;methyl 4-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]amino]piperidin-1-yl]butanoate has a molecular weight of 6196.30 g/mol, XLogP of 42.69, 159 rotatable bonds, 39 hydrogen bond donors, and 105 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-[3-(cyclohexylamino)propyl-[3-[4-[[[4-(piperidin-4-ylamino)quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]amino]-5-oxopentanoic acid;1-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]amino]piperidin-1-yl]-2,2,2-trifluoroethanone;1-[4-[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]piperazin-1-yl]butane-1-thione;1-[4-[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]piperazin-1-yl]-2-phenylethanone;1-[4-[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]piperazin-1-yl]-2,2,2-trifluoroethanone;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-2-N-[(4-isocyanophenyl)methyl]-4-N-piperidin-4-ylquinazoline-2,4-diamine;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-(1-pentylpiperidin-4-yl)quinazoline-2,4-diamine;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]quinazoline-2,4-diamine;N'-cyclohexyl-N-[3-[4-[[[4-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]propane-1,3-diamine;methyl 4-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]amino]piperidin-1-yl]butanoate is sourced from PubChem (CID 158101264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).