8-chloro-4-N-(2,2-dimethylpropyl)-3-ethynyl-6-N-[(S)-(6-fluoro-2-methyl-3-pyridinyl)-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]quinoline-4,6-diamine;1-[5-[(S)-[[4-(2,2-dimethylpropylamino)-3-ethynyl-8-fluoroquinolin-6-yl]amino]-(6-fluoro-2-methyl-3-pyridinyl)methyl]-1,2-dihydrotriazol-3-yl]cyclopropane-1-carboxamide;4-N-(2,2-dimethylpropyl)-3-ethynyl-8-fluoro-6-N-[(S)-(6-fluoro-2-methyl-3-pyridinyl)-[3-(1-methylcyclopropyl)-1,2-dihydrotriazol-5-yl]methyl]quinoline-4,6-diamine;4-N-(2,2-dimethylpropyl)-3-ethynyl-6-N-[(S)-(6-fluoro-2-methyl-3-pyridinyl)-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]-8-(3-methyl-3-methylsulfonylbut-1-ynyl)quinoline-4,6-diamine

C122H134ClF12N29O3S — CID 161189052

About 8-chloro-4-N-(2,2-dimethylpropyl)-3-ethynyl-6-N-[(S)-(6-fluoro-2-methyl-3-pyridinyl)-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]quinoline-4,6-diamine;1-[5-[(S)-[[4-(2,2-dimethylpropylamino)-3-ethynyl-8-fluoroquinolin-6-yl]amino]-(6-fluoro-2-methyl-3-pyridinyl)methyl]-1,2-dihydrotriazol-3-yl]cyclopropane-1-carboxamide;4-N-(2,2-dimethylpropyl)-3-ethynyl-8-fluoro-6-N-[(S)-(6-fluoro-2-methyl-3-pyridinyl)-[3-(1-methylcyclopropyl)-1,2-dihydrotriazol-5-yl]methyl]quinoline-4,6-diamine;4-N-(2,2-dimethylpropyl)-3-ethynyl-6-N-[(S)-(6-fluoro-2-methyl-3-pyridinyl)-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]-8-(3-methyl-3-methylsulfonylbut-1-ynyl)quinoline-4,6-diamine

8-chloro-4-N-(2,2-dimethylpropyl)-3-ethynyl-6-N-[(S)-(6-fluoro-2-methyl-3-pyridinyl)-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]quinoline-4,6-diamine;1-[5-[(S)-[[4-(2,2-dimethylpropylamino)-3-ethynyl-8-fluoroquinolin-6-yl]amino]-(6-fluoro-2-methyl-3-pyridinyl)methyl]-1,2-dihydrotriazol-3-yl]cyclopropane-1-carboxamide;4-N-(2,2-dimethylpropyl)-3-ethynyl-8-fluoro-6-N-[(S)-(6-fluoro-2-methyl-3-pyridinyl)-[3-(1-methylcyclopropyl)-1,2-dihydrotriazol-5-yl]methyl]quinoline-4,6-diamine;4-N-(2,2-dimethylpropyl)-3-ethynyl-6-N-[(S)-(6-fluoro-2-methyl-3-pyridinyl)-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]-8-(3-methyl-3-methylsulfonylbut-1-ynyl)quinoline-4,6-diamine (PubChem CID 161189052) has the molecular formula C122H134ClF12N29O3S and a molecular weight of 2350.11 g/mol. Its IUPAC name is 8-chloro-4-N-(2,2-dimethylpropyl)-3-ethynyl-6-N-[(S)-(6-fluoro-2-methyl-3-pyridinyl)-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]quinoline-4,6-diamine;1-[5-[(S)-[[4-(2,2-dimethylpropylamino)-3-ethynyl-8-fluoroquinolin-6-yl]amino]-(6-fluoro-2-methyl-3-pyridinyl)methyl]-1,2-dihydrotriazol-3-yl]cyclopropane-1-carboxamide;4-N-(2,2-dimethylpropyl)-3-ethynyl-8-fluoro-6-N-[(S)-(6-fluoro-2-methyl-3-pyridinyl)-[3-(1-methylcyclopropyl)-1,2-dihydrotriazol-5-yl]methyl]quinoline-4,6-diamine;4-N-(2,2-dimethylpropyl)-3-ethynyl-6-N-[(S)-(6-fluoro-2-methyl-3-pyridinyl)-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]-8-(3-methyl-3-methylsulfonylbut-1-ynyl)quinoline-4,6-diamine.

Molecular Properties

• Compound Name: 8-chloro-4-N-(2,2-dimethylpropyl)-3-ethynyl-6-N-[(S)-(6-fluoro-2-methyl-3-pyridinyl)-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]quinoline-4,6-diamine;1-[5-[(S)-[[4-(2,2-dimethylpropylamino)-3-ethynyl-8-fluoroquinolin-6-yl]amino]-(6-fluoro-2-methyl-3-pyridinyl)methyl]-1,2-dihydrotriazol-3-yl]cyclopropane-1-carboxamide;4-N-(2,2-dimethylpropyl)-3-ethynyl-8-fluoro-6-N-[(S)-(6-fluoro-2-methyl-3-pyridinyl)-[3-(1-methylcyclopropyl)-1,2-dihydrotriazol-5-yl]methyl]quinoline-4,6-diamine;4-N-(2,2-dimethylpropyl)-3-ethynyl-6-N-[(S)-(6-fluoro-2-methyl-3-pyridinyl)-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]-8-(3-methyl-3-methylsulfonylbut-1-ynyl)quinoline-4,6-diamine
• PubChem CID: 161189052
• Molecular Formula: C122H134ClF12N29O3S
• Molecular Weight: 2350.11 g/mol
• Exact Mass: 2348.04
• IUPAC Name: 8-chloro-4-N-(2,2-dimethylpropyl)-3-ethynyl-6-N-[(S)-(6-fluoro-2-methyl-3-pyridinyl)-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]quinoline-4,6-diamine;1-[5-[(S)-[[4-(2,2-dimethylpropylamino)-3-ethynyl-8-fluoroquinolin-6-yl]amino]-(6-fluoro-2-methyl-3-pyridinyl)methyl]-1,2-dihydrotriazol-3-yl]cyclopropane-1-carboxamide;4-N-(2,2-dimethylpropyl)-3-ethynyl-8-fluoro-6-N-[(S)-(6-fluoro-2-methyl-3-pyridinyl)-[3-(1-methylcyclopropyl)-1,2-dihydrotriazol-5-yl]methyl]quinoline-4,6-diamine;4-N-(2,2-dimethylpropyl)-3-ethynyl-6-N-[(S)-(6-fluoro-2-methyl-3-pyridinyl)-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]-8-(3-methyl-3-methylsulfonylbut-1-ynyl)quinoline-4,6-diamine
• SMILES: C#Cc1cnc2c(C#CC(C)(C)S(C)(=O)=O)cc(N[C@H](C3=CN(C4(C(F)(F)F)CC4)NN3)c3ccc(F)nc3C)cc2c1NCC(C)(C)C.C#Cc1cnc2c(Cl)cc(N[C@H](C3=CN(C4(C(F)(F)F)CC4)NN3)c3ccc(F)nc3C)cc2c1NCC(C)(C)C.C#Cc1cnc2c(F)cc(N[C@H](C3=CN(C4(C(N)=O)CC4)NN3)c3ccc(F)nc3C)cc2c1NCC(C)(C)C.C#Cc1cnc2c(F)cc(N[C@H](C3=CN(C4(C)CC4)NN3)c3ccc(F)nc3C)cc2c1NCC(C)(C)C
• InChI: InChI=1S/C35H39F4N7O2S.C29H30ClF4N7.C29H32F2N8O.C29H33F2N7/c1-9-22-18-40-30-23(12-13-33(6,7)49(8,47)48)16-24(17-26(30)29(22)41-20-32(3,4)5)43-31(25-10-11-28(36)42-21(25)2)27-19-46(45-44-27)34(14-15-34)35(37,38)39;1-6-17-13-35-25-20(24(17)36-15-27(3,4)5)11-18(12-21(25)30)38-26(19-7-8-23(31)37-16(19)2)22-14-41(40-39-22)28(9-10-28)29(32,33)34;1-6-17-13-33-25-20(24(17)34-15-28(3,4)5)11-18(12-21(25)30)36-26(19-7-8-23(31)35-16(19)2)22-14-39(38-37-22)29(9-10-29)27(32)40;1-7-18-14-32-26-21(25(18)33-16-28(3,4)5)12-19(13-22(26)30)35-27(20-8-9-24(31)34-17(20)2)23-15-38(37-36-23)29(6)10-11-29/h1,10-11,16-19,31,43-45H,14-15,20H2,2-8H3,(H,40,41);1,7-8,11-14,26,38-40H,9-10,15H2,2-5H3,(H,35,36);1,7-8,11-14,26,36-38H,9-10,15H2,2-5H3,(H2,32,40)(H,33,34);1,8-9,12-15,27,35-37H,10-11,16H2,2-6H3,(H,32,33)/t31-;2*26-;27-/m0000/s1
• InChIKey: UTLXASMDKKLUGN-GYSJQWOZSA-N
• XLogP: 22.21
• TPSA: 385.79 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 31
• Rotatable Bonds: 30
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2350.11
LogP ≤ 5	22.21
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-chloro-4-N-(2,2-dimethylpropyl)-3-ethynyl-6-N-[(S)-(6-fluoro-2-methyl-3-pyridinyl)-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]quinoline-4,6-diamine;1-[5-[(S)-[[4-(2,2-dimethylpropylamino)-3-ethynyl-8-fluoroquinolin-6-yl]amino]-(6-fluoro-2-methyl-3-pyridinyl)methyl]-1,2-dihydrotriazol-3-yl]cyclopropane-1-carboxamide;4-N-(2,2-dimethylpropyl)-3-ethynyl-8-fluoro-6-N-[(S)-(6-fluoro-2-methyl-3-pyridinyl)-[3-(1-methylcyclopropyl)-1,2-dihydrotriazol-5-yl]methyl]quinoline-4,6-diamine;4-N-(2,2-dimethylpropyl)-3-ethynyl-6-N-[(S)-(6-fluoro-2-methyl-3-pyridinyl)-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]-8-(3-methyl-3-methylsulfonylbut-1-ynyl)quinoline-4,6-diamine?

The IUPAC name of 8-chloro-4-N-(2,2-dimethylpropyl)-3-ethynyl-6-N-[(S)-(6-fluoro-2-methyl-3-pyridinyl)-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]quinoline-4,6-diamine;1-[5-[(S)-[[4-(2,2-dimethylpropylamino)-3-ethynyl-8-fluoroquinolin-6-yl]amino]-(6-fluoro-2-methyl-3-pyridinyl)methyl]-1,2-dihydrotriazol-3-yl]cyclopropane-1-carboxamide;4-N-(2,2-dimethylpropyl)-3-ethynyl-8-fluoro-6-N-[(S)-(6-fluoro-2-methyl-3-pyridinyl)-[3-(1-methylcyclopropyl)-1,2-dihydrotriazol-5-yl]methyl]quinoline-4,6-diamine;4-N-(2,2-dimethylpropyl)-3-ethynyl-6-N-[(S)-(6-fluoro-2-methyl-3-pyridinyl)-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]-8-(3-methyl-3-methylsulfonylbut-1-ynyl)quinoline-4,6-diamine (CID 161189052) is 8-chloro-4-N-(2,2-dimethylpropyl)-3-ethynyl-6-N-[(S)-(6-fluoro-2-methyl-3-pyridinyl)-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]quinoline-4,6-diamine;1-[5-[(S)-[[4-(2,2-dimethylpropylamino)-3-ethynyl-8-fluoroquinolin-6-yl]amino]-(6-fluoro-2-methyl-3-pyridinyl)methyl]-1,2-dihydrotriazol-3-yl]cyclopropane-1-carboxamide;4-N-(2,2-dimethylpropyl)-3-ethynyl-8-fluoro-6-N-[(S)-(6-fluoro-2-methyl-3-pyridinyl)-[3-(1-methylcyclopropyl)-1,2-dihydrotriazol-5-yl]methyl]quinoline-4,6-diamine;4-N-(2,2-dimethylpropyl)-3-ethynyl-6-N-[(S)-(6-fluoro-2-methyl-3-pyridinyl)-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]-8-(3-methyl-3-methylsulfonylbut-1-ynyl)quinoline-4,6-diamine.

What is the SMILES notation for 8-chloro-4-N-(2,2-dimethylpropyl)-3-ethynyl-6-N-[(S)-(6-fluoro-2-methyl-3-pyridinyl)-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]quinoline-4,6-diamine;1-[5-[(S)-[[4-(2,2-dimethylpropylamino)-3-ethynyl-8-fluoroquinolin-6-yl]amino]-(6-fluoro-2-methyl-3-pyridinyl)methyl]-1,2-dihydrotriazol-3-yl]cyclopropane-1-carboxamide;4-N-(2,2-dimethylpropyl)-3-ethynyl-8-fluoro-6-N-[(S)-(6-fluoro-2-methyl-3-pyridinyl)-[3-(1-methylcyclopropyl)-1,2-dihydrotriazol-5-yl]methyl]quinoline-4,6-diamine;4-N-(2,2-dimethylpropyl)-3-ethynyl-6-N-[(S)-(6-fluoro-2-methyl-3-pyridinyl)-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]-8-(3-methyl-3-methylsulfonylbut-1-ynyl)quinoline-4,6-diamine?

The canonical SMILES for 8-chloro-4-N-(2,2-dimethylpropyl)-3-ethynyl-6-N-[(S)-(6-fluoro-2-methyl-3-pyridinyl)-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]quinoline-4,6-diamine;1-[5-[(S)-[[4-(2,2-dimethylpropylamino)-3-ethynyl-8-fluoroquinolin-6-yl]amino]-(6-fluoro-2-methyl-3-pyridinyl)methyl]-1,2-dihydrotriazol-3-yl]cyclopropane-1-carboxamide;4-N-(2,2-dimethylpropyl)-3-ethynyl-8-fluoro-6-N-[(S)-(6-fluoro-2-methyl-3-pyridinyl)-[3-(1-methylcyclopropyl)-1,2-dihydrotriazol-5-yl]methyl]quinoline-4,6-diamine;4-N-(2,2-dimethylpropyl)-3-ethynyl-6-N-[(S)-(6-fluoro-2-methyl-3-pyridinyl)-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]-8-(3-methyl-3-methylsulfonylbut-1-ynyl)quinoline-4,6-diamine is C#Cc1cnc2c(C#CC(C)(C)S(C)(=O)=O)cc(N[C@H](C3=CN(C4(C(F)(F)F)CC4)NN3)c3ccc(F)nc3C)cc2c1NCC(C)(C)C.C#Cc1cnc2c(Cl)cc(N[C@H](C3=CN(C4(C(F)(F)F)CC4)NN3)c3ccc(F)nc3C)cc2c1NCC(C)(C)C.C#Cc1cnc2c(F)cc(N[C@H](C3=CN(C4(C(N)=O)CC4)NN3)c3ccc(F)nc3C)cc2c1NCC(C)(C)C.C#Cc1cnc2c(F)cc(N[C@H](C3=CN(C4(C)CC4)NN3)c3ccc(F)nc3C)cc2c1NCC(C)(C)C.

What is the InChIKey of 8-chloro-4-N-(2,2-dimethylpropyl)-3-ethynyl-6-N-[(S)-(6-fluoro-2-methyl-3-pyridinyl)-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]quinoline-4,6-diamine;1-[5-[(S)-[[4-(2,2-dimethylpropylamino)-3-ethynyl-8-fluoroquinolin-6-yl]amino]-(6-fluoro-2-methyl-3-pyridinyl)methyl]-1,2-dihydrotriazol-3-yl]cyclopropane-1-carboxamide;4-N-(2,2-dimethylpropyl)-3-ethynyl-8-fluoro-6-N-[(S)-(6-fluoro-2-methyl-3-pyridinyl)-[3-(1-methylcyclopropyl)-1,2-dihydrotriazol-5-yl]methyl]quinoline-4,6-diamine;4-N-(2,2-dimethylpropyl)-3-ethynyl-6-N-[(S)-(6-fluoro-2-methyl-3-pyridinyl)-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]-8-(3-methyl-3-methylsulfonylbut-1-ynyl)quinoline-4,6-diamine?

The InChIKey is UTLXASMDKKLUGN-GYSJQWOZSA-N. The full InChI is InChI=1S/C35H39F4N7O2S.C29H30ClF4N7.C29H32F2N8O.C29H33F2N7/c1-9-22-18-40-30-23(12-13-33(6,7)49(8,47)48)16-24(17-26(30)29(22)41-20-32(3,4)5)43-31(25-10-11-28(36)42-21(25)2)27-19-46(45-44-27)34(14-15-34)35(37,38)39;1-6-17-13-35-25-20(24(17)36-15-27(3,4)5)11-18(12-21(25)30)38-26(19-7-8-23(31)37-16(19)2)22-14-41(40-39-22)28(9-10-28)29(32,33)34;1-6-17-13-33-25-20(24(17)34-15-28(3,4)5)11-18(12-21(25)30)36-26(19-7-8-23(31)35-16(19)2)22-14-39(38-37-22)29(9-10-29)27(32)40;1-7-18-14-32-26-21(25(18)33-16-28(3,4)5)12-19(13-22(26)30)35-27(20-8-9-24(31)34-17(20)2)23-15-38(37-36-23)29(6)10-11-29/h1,10-11,16-19,31,43-45H,14-15,20H2,2-8H3,(H,40,41);1,7-8,11-14,26,38-40H,9-10,15H2,2-5H3,(H,35,36);1,7-8,11-14,26,36-38H,9-10,15H2,2-5H3,(H2,32,40)(H,33,34);1,8-9,12-15,27,35-37H,10-11,16H2,2-6H3,(H,32,33)/t31-;2*26-;27-/m0000/s1.

What are the key properties of 8-chloro-4-N-(2,2-dimethylpropyl)-3-ethynyl-6-N-[(S)-(6-fluoro-2-methyl-3-pyridinyl)-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]quinoline-4,6-diamine;1-[5-[(S)-[[4-(2,2-dimethylpropylamino)-3-ethynyl-8-fluoroquinolin-6-yl]amino]-(6-fluoro-2-methyl-3-pyridinyl)methyl]-1,2-dihydrotriazol-3-yl]cyclopropane-1-carboxamide;4-N-(2,2-dimethylpropyl)-3-ethynyl-8-fluoro-6-N-[(S)-(6-fluoro-2-methyl-3-pyridinyl)-[3-(1-methylcyclopropyl)-1,2-dihydrotriazol-5-yl]methyl]quinoline-4,6-diamine;4-N-(2,2-dimethylpropyl)-3-ethynyl-6-N-[(S)-(6-fluoro-2-methyl-3-pyridinyl)-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]-8-(3-methyl-3-methylsulfonylbut-1-ynyl)quinoline-4,6-diamine?

8-chloro-4-N-(2,2-dimethylpropyl)-3-ethynyl-6-N-[(S)-(6-fluoro-2-methyl-3-pyridinyl)-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]quinoline-4,6-diamine;1-[5-[(S)-[[4-(2,2-dimethylpropylamino)-3-ethynyl-8-fluoroquinolin-6-yl]amino]-(6-fluoro-2-methyl-3-pyridinyl)methyl]-1,2-dihydrotriazol-3-yl]cyclopropane-1-carboxamide;4-N-(2,2-dimethylpropyl)-3-ethynyl-8-fluoro-6-N-[(S)-(6-fluoro-2-methyl-3-pyridinyl)-[3-(1-methylcyclopropyl)-1,2-dihydrotriazol-5-yl]methyl]quinoline-4,6-diamine;4-N-(2,2-dimethylpropyl)-3-ethynyl-6-N-[(S)-(6-fluoro-2-methyl-3-pyridinyl)-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]-8-(3-methyl-3-methylsulfonylbut-1-ynyl)quinoline-4,6-diamine has a molecular weight of 2350.11 g/mol, XLogP of 22.21, 30 rotatable bonds, 17 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 8-chloro-4-N-(2,2-dimethylpropyl)-3-ethynyl-6-N-[(S)-(6-fluoro-2-methyl-3-pyridinyl)-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]quinoline-4,6-diamine;1-[5-[(S)-[[4-(2,2-dimethylpropylamino)-3-ethynyl-8-fluoroquinolin-6-yl]amino]-(6-fluoro-2-methyl-3-pyridinyl)methyl]-1,2-dihydrotriazol-3-yl]cyclopropane-1-carboxamide;4-N-(2,2-dimethylpropyl)-3-ethynyl-8-fluoro-6-N-[(S)-(6-fluoro-2-methyl-3-pyridinyl)-[3-(1-methylcyclopropyl)-1,2-dihydrotriazol-5-yl]methyl]quinoline-4,6-diamine;4-N-(2,2-dimethylpropyl)-3-ethynyl-6-N-[(S)-(6-fluoro-2-methyl-3-pyridinyl)-[3-[1-(trifluoromethyl)cyclopropyl]-1,2-dihydrotriazol-5-yl]methyl]-8-(3-methyl-3-methylsulfonylbut-1-ynyl)quinoline-4,6-diamine is sourced from PubChem (CID 161189052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).