(2S)-2-amino-5-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]pyrido[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-5-oxopentanoic acid;(2S)-2-amino-5-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-5-oxopentanoic acid;1-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]pyrido[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-2,2,2-trifluoroethanone;1-[3-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]amino]piperidin-1-yl]propyl]-5-phenyltriazole-4-carboxylic acid;1-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-2,2,2-trifluoroethanone;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-piperidin-4-ylpyrido[2,3-d]pyrimidine-2,4-diamine;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-piperidin-4-ylpyrimidine-2,4-diamine;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-piperidin-4-yl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine-2,4-diamine;N'-cyclohexyl-N-[3-[4-[[[6-(4-methylpiperazin-1-yl)-7H-purin-2-yl]amino]methyl]triazol-1-yl]propyl]propane-1,3-diamine;N'-cyclohexyl-N-[3-[4-[[(4-piperidin-1-ylthieno[2,3-d]pyrimidin-2-yl)amino]methyl]triazol-1-yl]propyl]propane-1,3-diamine

C291H462F6N112O10S — CID 161361853

About (2S)-2-amino-5-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]pyrido[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-5-oxopentanoic acid;(2S)-2-amino-5-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-5-oxopentanoic acid;1-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]pyrido[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-2,2,2-trifluoroethanone;1-[3-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]amino]piperidin-1-yl]propyl]-5-phenyltriazole-4-carboxylic acid;1-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-2,2,2-trifluoroethanone;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-piperidin-4-ylpyrido[2,3-d]pyrimidine-2,4-diamine;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-piperidin-4-ylpyrimidine-2,4-diamine;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-piperidin-4-yl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine-2,4-diamine;N'-cyclohexyl-N-[3-[4-[[[6-(4-methylpiperazin-1-yl)-7H-purin-2-yl]amino]methyl]triazol-1-yl]propyl]propane-1,3-diamine;N'-cyclohexyl-N-[3-[4-[[(4-piperidin-1-ylthieno[2,3-d]pyrimidin-2-yl)amino]methyl]triazol-1-yl]propyl]propane-1,3-diamine

(2S)-2-amino-5-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]pyrido[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-5-oxopentanoic acid;(2S)-2-amino-5-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-5-oxopentanoic acid;1-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]pyrido[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-2,2,2-trifluoroethanone;1-[3-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]amino]piperidin-1-yl]propyl]-5-phenyltriazole-4-carboxylic acid;1-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-2,2,2-trifluoroethanone;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-piperidin-4-ylpyrido[2,3-d]pyrimidine-2,4-diamine;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-piperidin-4-ylpyrimidine-2,4-diamine;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-piperidin-4-yl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine-2,4-diamine;N'-cyclohexyl-N-[3-[4-[[[6-(4-methylpiperazin-1-yl)-7H-purin-2-yl]amino]methyl]triazol-1-yl]propyl]propane-1,3-diamine;N'-cyclohexyl-N-[3-[4-[[(4-piperidin-1-ylthieno[2,3-d]pyrimidin-2-yl)amino]methyl]triazol-1-yl]propyl]propane-1,3-diamine (PubChem CID 161361853) has the molecular formula C291H462F6N112O10S and a molecular weight of 5835.73 g/mol. Its IUPAC name is (2S)-2-amino-5-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]pyrido[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-5-oxopentanoic acid;(2S)-2-amino-5-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-5-oxopentanoic acid;1-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]pyrido[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-2,2,2-trifluoroethanone;1-[3-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]amino]piperidin-1-yl]propyl]-5-phenyltriazole-4-carboxylic acid;1-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-2,2,2-trifluoroethanone;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-piperidin-4-ylpyrido[2,3-d]pyrimidine-2,4-diamine;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-piperidin-4-ylpyrimidine-2,4-diamine;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-piperidin-4-yl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine-2,4-diamine;N'-cyclohexyl-N-[3-[4-[[[6-(4-methylpiperazin-1-yl)-7H-purin-2-yl]amino]methyl]triazol-1-yl]propyl]propane-1,3-diamine;N'-cyclohexyl-N-[3-[4-[[(4-piperidin-1-ylthieno[2,3-d]pyrimidin-2-yl)amino]methyl]triazol-1-yl]propyl]propane-1,3-diamine.

Molecular Properties

• Compound Name: (2S)-2-amino-5-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]pyrido[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-5-oxopentanoic acid;(2S)-2-amino-5-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-5-oxopentanoic acid;1-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]pyrido[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-2,2,2-trifluoroethanone;1-[3-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]amino]piperidin-1-yl]propyl]-5-phenyltriazole-4-carboxylic acid;1-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-2,2,2-trifluoroethanone;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-piperidin-4-ylpyrido[2,3-d]pyrimidine-2,4-diamine;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-piperidin-4-ylpyrimidine-2,4-diamine;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-piperidin-4-yl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine-2,4-diamine;N'-cyclohexyl-N-[3-[4-[[[6-(4-methylpiperazin-1-yl)-7H-purin-2-yl]amino]methyl]triazol-1-yl]propyl]propane-1,3-diamine;N'-cyclohexyl-N-[3-[4-[[(4-piperidin-1-ylthieno[2,3-d]pyrimidin-2-yl)amino]methyl]triazol-1-yl]propyl]propane-1,3-diamine
• PubChem CID: 161361853
• Molecular Formula: C291H462F6N112O10S
• Molecular Weight: 5835.73 g/mol
• Exact Mass: 5831.87
• IUPAC Name: (2S)-2-amino-5-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]pyrido[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-5-oxopentanoic acid;(2S)-2-amino-5-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-5-oxopentanoic acid;1-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]pyrido[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-2,2,2-trifluoroethanone;1-[3-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]amino]piperidin-1-yl]propyl]-5-phenyltriazole-4-carboxylic acid;1-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-2,2,2-trifluoroethanone;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-piperidin-4-ylpyrido[2,3-d]pyrimidine-2,4-diamine;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-piperidin-4-ylpyrimidine-2,4-diamine;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-piperidin-4-yl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine-2,4-diamine;N'-cyclohexyl-N-[3-[4-[[[6-(4-methylpiperazin-1-yl)-7H-purin-2-yl]amino]methyl]triazol-1-yl]propyl]propane-1,3-diamine;N'-cyclohexyl-N-[3-[4-[[(4-piperidin-1-ylthieno[2,3-d]pyrimidin-2-yl)amino]methyl]triazol-1-yl]propyl]propane-1,3-diamine
• SMILES: CN1CCN(c2nc(NCc3cn(CCCNCCCNC4CCCCC4)nn3)nc3nc[nH]c23)CC1.N[C@@H](CCC(=O)N1CCC(Nc2nc(NCc3cn(CCCNCCCNC4CCCCC4)nn3)nc3c2CCCN3)CC1)C(=O)O.N[C@@H](CCC(=O)N1CCC(Nc2nc(NCc3cn(CCCNCCCNC4CCCCC4)nn3)nc3ncccc23)CC1)C(=O)O.O=C(N1CCC(Nc2nc(NCc3cn(CCCNCCCNC4CCCCC4)nn3)nc3c2CCCN3)CC1)C(F)(F)F.O=C(N1CCC(Nc2nc(NCc3cn(CCCNCCCNC4CCCCC4)nn3)nc3ncccc23)CC1)C(F)(F)F.O=C(O)c1nnn(CCCN2CCC(Nc3nc(NCc4cn(CCCNCCCNC5CCCCC5)nn4)nc4ccccc34)CC2)c1-c1ccccc1.c1c(CNc2nc3c(c(NC4CCNCC4)n2)CCCN3)nnn1CCCNCCCNC1CCCCC1.c1cc(NC2CCNCC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1.c1cc2c(N3CCCCC3)nc(NCc3cn(CCCNCCCNC4CCCCC4)nn3)nc2s1.c1cnc2nc(NCc3cn(CCCNCCCNC4CCCCC4)nn3)nc(NC3CCNCC3)c2c1
• InChI: InChI=1S/C40H55N13O2.C32H54N12O3.C32H50N12O3.C29H46F3N11O.C29H42F3N11O.C27H47N11.C27H43N11.C26H41N9S.C25H42N12.C24H42N10/c54-39(55)36-37(30-12-3-1-4-13-30)53(50-48-36)25-11-23-51-26-18-32(19-27-51)44-38-34-16-7-8-17-35(34)45-40(46-38)43-28-33-29-52(49-47-33)24-10-21-41-20-9-22-42-31-14-5-2-6-15-31;2*33-27(31(46)47)10-11-28(45)43-19-12-24(13-20-43)38-30-26-9-4-16-36-29(26)39-32(40-30)37-21-25-22-44(42-41-25)18-6-15-34-14-5-17-35-23-7-2-1-3-8-23;2*30-29(31,32)27(44)42-17-10-22(11-18-42)37-26-24-9-4-14-35-25(24)38-28(39-26)36-19-23-20-43(41-40-23)16-6-13-33-12-5-15-34-21-7-2-1-3-8-21;2*1-2-7-21(8-3-1)30-15-5-12-28-13-6-18-38-20-23(36-37-38)19-32-27-34-25-24(9-4-14-31-25)26(35-27)33-22-10-16-29-17-11-22;1-3-9-21(10-4-1)28-14-7-12-27-13-8-17-35-20-22(32-33-35)19-29-26-30-24(34-15-5-2-6-16-34)23-11-18-36-25(23)31-26;1-35-13-15-36(16-14-35)24-22-23(30-19-29-22)31-25(32-24)28-17-21-18-37(34-33-21)12-6-10-26-9-5-11-27-20-7-3-2-4-8-20;1-2-6-20(7-3-1)27-13-4-11-25-12-5-17-34-19-22(32-33-34)18-29-24-28-16-10-23(31-24)30-21-8-14-26-15-9-21/h1,3-4,7-8,12-13,16-17,29,31-32,41-42H,2,5-6,9-11,14-15,18-28H2,(H,54,55)(H2,43,44,45,46);22-24,27,34-35H,1-21,33H2,(H,46,47)(H3,36,37,38,39,40);4,9,16,22-24,27,34-35H,1-3,5-8,10-15,17-21,33H2,(H,46,47)(H2,36,37,38,39,40);20-22,33-34H,1-19H2,(H3,35,36,37,38,39);4,9,14,20-22,33-34H,1-3,5-8,10-13,15-19H2,(H2,35,36,37,38,39);20-22,28-30H,1-19H2,(H3,31,32,33,34,35);4,9,14,20-22,28-30H,1-3,5-8,10-13,15-19H2,(H2,31,32,33,34,35);11,18,20-21,27-28H,1-10,12-17,19H2,(H,29,30,31);18-20,26-27H,2-17H2,1H3,(H2,28,29,30,31,32);10,16,19-21,25-27H,1-9,11-15,17-18H2,(H2,28,29,30,31)/t;2*27-;;;;;;;/m.00......./s1
• InChIKey: VPHAIPMOLSWCKX-DBASLCHJSA-N
• XLogP: 28.96
• TPSA: 1450.42 Ų
• H-Bond Donors: 50
• H-Bond Acceptors: 115
• Rotatable Bonds: 152
• Heavy Atoms: 420
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	5835.73
LogP ≤ 5	28.96
H-Bond Donors ≤ 5	50
H-Bond Acceptors ≤ 10	115

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]pyrido[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-5-oxopentanoic acid;(2S)-2-amino-5-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-5-oxopentanoic acid;1-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]pyrido[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-2,2,2-trifluoroethanone;1-[3-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]amino]piperidin-1-yl]propyl]-5-phenyltriazole-4-carboxylic acid;1-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-2,2,2-trifluoroethanone;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-piperidin-4-ylpyrido[2,3-d]pyrimidine-2,4-diamine;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-piperidin-4-ylpyrimidine-2,4-diamine;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-piperidin-4-yl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine-2,4-diamine;N'-cyclohexyl-N-[3-[4-[[[6-(4-methylpiperazin-1-yl)-7H-purin-2-yl]amino]methyl]triazol-1-yl]propyl]propane-1,3-diamine;N'-cyclohexyl-N-[3-[4-[[(4-piperidin-1-ylthieno[2,3-d]pyrimidin-2-yl)amino]methyl]triazol-1-yl]propyl]propane-1,3-diamine?

The IUPAC name of (2S)-2-amino-5-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]pyrido[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-5-oxopentanoic acid;(2S)-2-amino-5-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-5-oxopentanoic acid;1-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]pyrido[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-2,2,2-trifluoroethanone;1-[3-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]amino]piperidin-1-yl]propyl]-5-phenyltriazole-4-carboxylic acid;1-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-2,2,2-trifluoroethanone;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-piperidin-4-ylpyrido[2,3-d]pyrimidine-2,4-diamine;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-piperidin-4-ylpyrimidine-2,4-diamine;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-piperidin-4-yl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine-2,4-diamine;N'-cyclohexyl-N-[3-[4-[[[6-(4-methylpiperazin-1-yl)-7H-purin-2-yl]amino]methyl]triazol-1-yl]propyl]propane-1,3-diamine;N'-cyclohexyl-N-[3-[4-[[(4-piperidin-1-ylthieno[2,3-d]pyrimidin-2-yl)amino]methyl]triazol-1-yl]propyl]propane-1,3-diamine (CID 161361853) is (2S)-2-amino-5-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]pyrido[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-5-oxopentanoic acid;(2S)-2-amino-5-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-5-oxopentanoic acid;1-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]pyrido[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-2,2,2-trifluoroethanone;1-[3-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]amino]piperidin-1-yl]propyl]-5-phenyltriazole-4-carboxylic acid;1-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-2,2,2-trifluoroethanone;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-piperidin-4-ylpyrido[2,3-d]pyrimidine-2,4-diamine;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-piperidin-4-ylpyrimidine-2,4-diamine;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-piperidin-4-yl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine-2,4-diamine;N'-cyclohexyl-N-[3-[4-[[[6-(4-methylpiperazin-1-yl)-7H-purin-2-yl]amino]methyl]triazol-1-yl]propyl]propane-1,3-diamine;N'-cyclohexyl-N-[3-[4-[[(4-piperidin-1-ylthieno[2,3-d]pyrimidin-2-yl)amino]methyl]triazol-1-yl]propyl]propane-1,3-diamine.

What is the SMILES notation for (2S)-2-amino-5-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]pyrido[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-5-oxopentanoic acid;(2S)-2-amino-5-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-5-oxopentanoic acid;1-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]pyrido[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-2,2,2-trifluoroethanone;1-[3-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]amino]piperidin-1-yl]propyl]-5-phenyltriazole-4-carboxylic acid;1-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-2,2,2-trifluoroethanone;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-piperidin-4-ylpyrido[2,3-d]pyrimidine-2,4-diamine;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-piperidin-4-ylpyrimidine-2,4-diamine;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-piperidin-4-yl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine-2,4-diamine;N'-cyclohexyl-N-[3-[4-[[[6-(4-methylpiperazin-1-yl)-7H-purin-2-yl]amino]methyl]triazol-1-yl]propyl]propane-1,3-diamine;N'-cyclohexyl-N-[3-[4-[[(4-piperidin-1-ylthieno[2,3-d]pyrimidin-2-yl)amino]methyl]triazol-1-yl]propyl]propane-1,3-diamine?

The canonical SMILES for (2S)-2-amino-5-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]pyrido[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-5-oxopentanoic acid;(2S)-2-amino-5-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-5-oxopentanoic acid;1-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]pyrido[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-2,2,2-trifluoroethanone;1-[3-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]amino]piperidin-1-yl]propyl]-5-phenyltriazole-4-carboxylic acid;1-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-2,2,2-trifluoroethanone;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-piperidin-4-ylpyrido[2,3-d]pyrimidine-2,4-diamine;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-piperidin-4-ylpyrimidine-2,4-diamine;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-piperidin-4-yl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine-2,4-diamine;N'-cyclohexyl-N-[3-[4-[[[6-(4-methylpiperazin-1-yl)-7H-purin-2-yl]amino]methyl]triazol-1-yl]propyl]propane-1,3-diamine;N'-cyclohexyl-N-[3-[4-[[(4-piperidin-1-ylthieno[2,3-d]pyrimidin-2-yl)amino]methyl]triazol-1-yl]propyl]propane-1,3-diamine is CN1CCN(c2nc(NCc3cn(CCCNCCCNC4CCCCC4)nn3)nc3nc[nH]c23)CC1.N[C@@H](CCC(=O)N1CCC(Nc2nc(NCc3cn(CCCNCCCNC4CCCCC4)nn3)nc3c2CCCN3)CC1)C(=O)O.N[C@@H](CCC(=O)N1CCC(Nc2nc(NCc3cn(CCCNCCCNC4CCCCC4)nn3)nc3ncccc23)CC1)C(=O)O.O=C(N1CCC(Nc2nc(NCc3cn(CCCNCCCNC4CCCCC4)nn3)nc3c2CCCN3)CC1)C(F)(F)F.O=C(N1CCC(Nc2nc(NCc3cn(CCCNCCCNC4CCCCC4)nn3)nc3ncccc23)CC1)C(F)(F)F.O=C(O)c1nnn(CCCN2CCC(Nc3nc(NCc4cn(CCCNCCCNC5CCCCC5)nn4)nc4ccccc34)CC2)c1-c1ccccc1.c1c(CNc2nc3c(c(NC4CCNCC4)n2)CCCN3)nnn1CCCNCCCNC1CCCCC1.c1cc(NC2CCNCC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1.c1cc2c(N3CCCCC3)nc(NCc3cn(CCCNCCCNC4CCCCC4)nn3)nc2s1.c1cnc2nc(NCc3cn(CCCNCCCNC4CCCCC4)nn3)nc(NC3CCNCC3)c2c1.

What is the InChIKey of (2S)-2-amino-5-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]pyrido[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-5-oxopentanoic acid;(2S)-2-amino-5-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-5-oxopentanoic acid;1-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]pyrido[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-2,2,2-trifluoroethanone;1-[3-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]amino]piperidin-1-yl]propyl]-5-phenyltriazole-4-carboxylic acid;1-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-2,2,2-trifluoroethanone;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-piperidin-4-ylpyrido[2,3-d]pyrimidine-2,4-diamine;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-piperidin-4-ylpyrimidine-2,4-diamine;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-piperidin-4-yl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine-2,4-diamine;N'-cyclohexyl-N-[3-[4-[[[6-(4-methylpiperazin-1-yl)-7H-purin-2-yl]amino]methyl]triazol-1-yl]propyl]propane-1,3-diamine;N'-cyclohexyl-N-[3-[4-[[(4-piperidin-1-ylthieno[2,3-d]pyrimidin-2-yl)amino]methyl]triazol-1-yl]propyl]propane-1,3-diamine?

The InChIKey is VPHAIPMOLSWCKX-DBASLCHJSA-N. The full InChI is InChI=1S/C40H55N13O2.C32H54N12O3.C32H50N12O3.C29H46F3N11O.C29H42F3N11O.C27H47N11.C27H43N11.C26H41N9S.C25H42N12.C24H42N10/c54-39(55)36-37(30-12-3-1-4-13-30)53(50-48-36)25-11-23-51-26-18-32(19-27-51)44-38-34-16-7-8-17-35(34)45-40(46-38)43-28-33-29-52(49-47-33)24-10-21-41-20-9-22-42-31-14-5-2-6-15-31;2*33-27(31(46)47)10-11-28(45)43-19-12-24(13-20-43)38-30-26-9-4-16-36-29(26)39-32(40-30)37-21-25-22-44(42-41-25)18-6-15-34-14-5-17-35-23-7-2-1-3-8-23;2*30-29(31,32)27(44)42-17-10-22(11-18-42)37-26-24-9-4-14-35-25(24)38-28(39-26)36-19-23-20-43(41-40-23)16-6-13-33-12-5-15-34-21-7-2-1-3-8-21;2*1-2-7-21(8-3-1)30-15-5-12-28-13-6-18-38-20-23(36-37-38)19-32-27-34-25-24(9-4-14-31-25)26(35-27)33-22-10-16-29-17-11-22;1-3-9-21(10-4-1)28-14-7-12-27-13-8-17-35-20-22(32-33-35)19-29-26-30-24(34-15-5-2-6-16-34)23-11-18-36-25(23)31-26;1-35-13-15-36(16-14-35)24-22-23(30-19-29-22)31-25(32-24)28-17-21-18-37(34-33-21)12-6-10-26-9-5-11-27-20-7-3-2-4-8-20;1-2-6-20(7-3-1)27-13-4-11-25-12-5-17-34-19-22(32-33-34)18-29-24-28-16-10-23(31-24)30-21-8-14-26-15-9-21/h1,3-4,7-8,12-13,16-17,29,31-32,41-42H,2,5-6,9-11,14-15,18-28H2,(H,54,55)(H2,43,44,45,46);22-24,27,34-35H,1-21,33H2,(H,46,47)(H3,36,37,38,39,40);4,9,16,22-24,27,34-35H,1-3,5-8,10-15,17-21,33H2,(H,46,47)(H2,36,37,38,39,40);20-22,33-34H,1-19H2,(H3,35,36,37,38,39);4,9,14,20-22,33-34H,1-3,5-8,10-13,15-19H2,(H2,35,36,37,38,39);20-22,28-30H,1-19H2,(H3,31,32,33,34,35);4,9,14,20-22,28-30H,1-3,5-8,10-13,15-19H2,(H2,31,32,33,34,35);11,18,20-21,27-28H,1-10,12-17,19H2,(H,29,30,31);18-20,26-27H,2-17H2,1H3,(H2,28,29,30,31,32);10,16,19-21,25-27H,1-9,11-15,17-18H2,(H2,28,29,30,31)/t;2*27-;;;;;;;/m.00......./s1.

What are the key properties of (2S)-2-amino-5-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]pyrido[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-5-oxopentanoic acid;(2S)-2-amino-5-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-5-oxopentanoic acid;1-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]pyrido[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-2,2,2-trifluoroethanone;1-[3-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]amino]piperidin-1-yl]propyl]-5-phenyltriazole-4-carboxylic acid;1-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-2,2,2-trifluoroethanone;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-piperidin-4-ylpyrido[2,3-d]pyrimidine-2,4-diamine;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-piperidin-4-ylpyrimidine-2,4-diamine;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-piperidin-4-yl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine-2,4-diamine;N'-cyclohexyl-N-[3-[4-[[[6-(4-methylpiperazin-1-yl)-7H-purin-2-yl]amino]methyl]triazol-1-yl]propyl]propane-1,3-diamine;N'-cyclohexyl-N-[3-[4-[[(4-piperidin-1-ylthieno[2,3-d]pyrimidin-2-yl)amino]methyl]triazol-1-yl]propyl]propane-1,3-diamine?

(2S)-2-amino-5-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]pyrido[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-5-oxopentanoic acid;(2S)-2-amino-5-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-5-oxopentanoic acid;1-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]pyrido[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-2,2,2-trifluoroethanone;1-[3-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]amino]piperidin-1-yl]propyl]-5-phenyltriazole-4-carboxylic acid;1-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-2,2,2-trifluoroethanone;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-piperidin-4-ylpyrido[2,3-d]pyrimidine-2,4-diamine;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-piperidin-4-ylpyrimidine-2,4-diamine;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-piperidin-4-yl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine-2,4-diamine;N'-cyclohexyl-N-[3-[4-[[[6-(4-methylpiperazin-1-yl)-7H-purin-2-yl]amino]methyl]triazol-1-yl]propyl]propane-1,3-diamine;N'-cyclohexyl-N-[3-[4-[[(4-piperidin-1-ylthieno[2,3-d]pyrimidin-2-yl)amino]methyl]triazol-1-yl]propyl]propane-1,3-diamine has a molecular weight of 5835.73 g/mol, XLogP of 28.96, 152 rotatable bonds, 50 hydrogen bond donors, and 115 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-amino-5-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]pyrido[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-5-oxopentanoic acid;(2S)-2-amino-5-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-5-oxopentanoic acid;1-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]pyrido[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-2,2,2-trifluoroethanone;1-[3-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]quinazolin-4-yl]amino]piperidin-1-yl]propyl]-5-phenyltriazole-4-carboxylic acid;1-[4-[[2-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-2,2,2-trifluoroethanone;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-piperidin-4-ylpyrido[2,3-d]pyrimidine-2,4-diamine;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-piperidin-4-ylpyrimidine-2,4-diamine;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-piperidin-4-yl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine-2,4-diamine;N'-cyclohexyl-N-[3-[4-[[[6-(4-methylpiperazin-1-yl)-7H-purin-2-yl]amino]methyl]triazol-1-yl]propyl]propane-1,3-diamine;N'-cyclohexyl-N-[3-[4-[[(4-piperidin-1-ylthieno[2,3-d]pyrimidin-2-yl)amino]methyl]triazol-1-yl]propyl]propane-1,3-diamine is sourced from PubChem (CID 161361853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).