2-chloro-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-4-(1,2,4-triazol-4-yl)benzamide;N-[[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide;3-[[[3-(1,1-dioxo-1,4-thiazinan-4-yl)benzoyl]amino]methyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;3-[[[4-(5-ethyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]methyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[[4-[(2-methylimidazol-1-yl)methyl]benzoyl]amino]methyl]benzamide;N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide;N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-5-pyridin-3-ylthiophene-2-carboxamide;N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-5-pyridin-4-ylthiophene-2-carboxamide

C214H210ClN41O20S9 — CID 158699166

About 2-chloro-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-4-(1,2,4-triazol-4-yl)benzamide;N-[[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide;3-[[[3-(1,1-dioxo-1,4-thiazinan-4-yl)benzoyl]amino]methyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;3-[[[4-(5-ethyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]methyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[[4-[(2-methylimidazol-1-yl)methyl]benzoyl]amino]methyl]benzamide;N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide;N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-5-pyridin-3-ylthiophene-2-carboxamide;N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-5-pyridin-4-ylthiophene-2-carboxamide

2-chloro-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-4-(1,2,4-triazol-4-yl)benzamide;N-[[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide;3-[[[3-(1,1-dioxo-1,4-thiazinan-4-yl)benzoyl]amino]methyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;3-[[[4-(5-ethyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]methyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[[4-[(2-methylimidazol-1-yl)methyl]benzoyl]amino]methyl]benzamide;N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide;N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-5-pyridin-3-ylthiophene-2-carboxamide;N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-5-pyridin-4-ylthiophene-2-carboxamide (PubChem CID 158699166) has the molecular formula C214H210ClN41O20S9 and a molecular weight of 4000.36 g/mol. Its IUPAC name is 2-chloro-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-4-(1,2,4-triazol-4-yl)benzamide;N-[[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide;3-[[[3-(1,1-dioxo-1,4-thiazinan-4-yl)benzoyl]amino]methyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;3-[[[4-(5-ethyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]methyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[[4-[(2-methylimidazol-1-yl)methyl]benzoyl]amino]methyl]benzamide;N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide;N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-5-pyridin-3-ylthiophene-2-carboxamide;N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-5-pyridin-4-ylthiophene-2-carboxamide.

Molecular Properties

• Compound Name: 2-chloro-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-4-(1,2,4-triazol-4-yl)benzamide;N-[[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide;3-[[[3-(1,1-dioxo-1,4-thiazinan-4-yl)benzoyl]amino]methyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;3-[[[4-(5-ethyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]methyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[[4-[(2-methylimidazol-1-yl)methyl]benzoyl]amino]methyl]benzamide;N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide;N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-5-pyridin-3-ylthiophene-2-carboxamide;N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-5-pyridin-4-ylthiophene-2-carboxamide
• PubChem CID: 158699166
• Molecular Formula: C214H210ClN41O20S9
• Molecular Weight: 4000.36 g/mol
• Exact Mass: 3996.39
• IUPAC Name: 2-chloro-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-4-(1,2,4-triazol-4-yl)benzamide;N-[[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide;3-[[[3-(1,1-dioxo-1,4-thiazinan-4-yl)benzoyl]amino]methyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;3-[[[4-(5-ethyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]methyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[[4-[(2-methylimidazol-1-yl)methyl]benzoyl]amino]methyl]benzamide;N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide;N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-5-pyridin-3-ylthiophene-2-carboxamide;N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-5-pyridin-4-ylthiophene-2-carboxamide
• SMILES: CCc1nc(-c2ccc(C(=O)NCc3cccc(C(=O)Nc4ccc5c(c4)CN(C)CC5)c3)cc2)no1.CN(C)[C@H]1CCc2nc(NC(=O)c3cccc(CNC(=O)c4csc(-c5cccnc5)n4)c3)sc2C1.CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4ccc(-n5cnnc5)cc4Cl)c3)cc2C1.CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4cccc(N5CCS(=O)(=O)CC5)c4)c3)cc2C1.CN1CCc2nc(NC(=O)c3cccc(CNC(=O)c4ccc(-c5cccnc5)s4)c3)sc2C1.CN1CCc2nc(NC(=O)c3cccc(CNC(=O)c4ccc(-c5ccncc5)s4)c3)sc2C1.CN1CCc2nc(NC(=O)c3cccc(CNC(=O)c4ccc(-c5cnco5)s4)c3)sc2C1.Cc1nccn1Cc1ccc(C(=O)NCc2cccc(C(=O)Nc3ccc4c(c3)CN(C)CC4)c2)cc1
• InChI: InChI=1S/C30H31N5O2.C29H29N5O3.C29H32N4O4S.C27H25ClN6O2.C26H26N6O2S2.2C25H23N5O2S2.C23H21N5O3S2/c1-21-31-13-15-35(21)19-22-6-8-25(9-7-22)29(36)32-18-23-4-3-5-26(16-23)30(37)33-28-11-10-24-12-14-34(2)20-27(24)17-28;1-3-26-32-27(33-37-26)21-7-9-22(10-8-21)28(35)30-17-19-5-4-6-23(15-19)29(36)31-25-12-11-20-13-14-34(2)18-24(20)16-25;1-32-11-10-22-8-9-26(17-25(22)20-32)31-29(35)23-5-2-4-21(16-23)19-30-28(34)24-6-3-7-27(18-24)33-12-14-38(36,37)15-13-33;1-33-10-9-19-5-6-22(12-21(19)15-33)32-26(35)20-4-2-3-18(11-20)14-29-27(36)24-8-7-23(13-25(24)28)34-16-30-31-17-34;1-32(2)19-8-9-20-22(12-19)36-26(30-20)31-23(33)17-6-3-5-16(11-17)13-28-24(34)21-15-35-25(29-21)18-7-4-10-27-14-18;1-30-11-9-19-22(15-30)34-25(28-19)29-23(31)17-5-2-4-16(12-17)13-27-24(32)21-8-7-20(33-21)18-6-3-10-26-14-18;1-30-12-9-19-22(15-30)34-25(28-19)29-23(31)18-4-2-3-16(13-18)14-27-24(32)21-6-5-20(33-21)17-7-10-26-11-8-17;1-28-8-7-16-20(12-28)33-23(26-16)27-21(29)15-4-2-3-14(9-15)10-25-22(30)19-6-5-18(32-19)17-11-24-13-31-17/h3-11,13,15-17H,12,14,18-20H2,1-2H3,(H,32,36)(H,33,37);4-12,15-16H,3,13-14,17-18H2,1-2H3,(H,30,35)(H,31,36);2-9,16-18H,10-15,19-20H2,1H3,(H,30,34)(H,31,35);2-8,11-13,16-17H,9-10,14-15H2,1H3,(H,29,36)(H,32,35);3-7,10-11,14-15,19H,8-9,12-13H2,1-2H3,(H,28,34)(H,30,31,33);2-8,10,12,14H,9,11,13,15H2,1H3,(H,27,32)(H,28,29,31);2-8,10-11,13H,9,12,14-15H2,1H3,(H,27,32)(H,28,29,31);2-6,9,11,13H,7-8,10,12H2,1H3,(H,25,30)(H,26,27,29)/t;;;;19-;;;/m....0.../s1
• InChIKey: IHHXJFLEHXDTFR-AFDKGDPLSA-N
• XLogP: 33.23
• TPSA: 745.50 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 53
• Rotatable Bonds: 51
• Heavy Atoms: 285
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4000.36
LogP ≤ 5	33.23
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	53

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-4-(1,2,4-triazol-4-yl)benzamide;N-[[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide;3-[[[3-(1,1-dioxo-1,4-thiazinan-4-yl)benzoyl]amino]methyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;3-[[[4-(5-ethyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]methyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[[4-[(2-methylimidazol-1-yl)methyl]benzoyl]amino]methyl]benzamide;N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide;N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-5-pyridin-3-ylthiophene-2-carboxamide;N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-5-pyridin-4-ylthiophene-2-carboxamide?

The IUPAC name of 2-chloro-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-4-(1,2,4-triazol-4-yl)benzamide;N-[[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide;3-[[[3-(1,1-dioxo-1,4-thiazinan-4-yl)benzoyl]amino]methyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;3-[[[4-(5-ethyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]methyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[[4-[(2-methylimidazol-1-yl)methyl]benzoyl]amino]methyl]benzamide;N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide;N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-5-pyridin-3-ylthiophene-2-carboxamide;N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-5-pyridin-4-ylthiophene-2-carboxamide (CID 158699166) is 2-chloro-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-4-(1,2,4-triazol-4-yl)benzamide;N-[[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide;3-[[[3-(1,1-dioxo-1,4-thiazinan-4-yl)benzoyl]amino]methyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;3-[[[4-(5-ethyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]methyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[[4-[(2-methylimidazol-1-yl)methyl]benzoyl]amino]methyl]benzamide;N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide;N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-5-pyridin-3-ylthiophene-2-carboxamide;N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-5-pyridin-4-ylthiophene-2-carboxamide.

What is the SMILES notation for 2-chloro-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-4-(1,2,4-triazol-4-yl)benzamide;N-[[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide;3-[[[3-(1,1-dioxo-1,4-thiazinan-4-yl)benzoyl]amino]methyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;3-[[[4-(5-ethyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]methyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[[4-[(2-methylimidazol-1-yl)methyl]benzoyl]amino]methyl]benzamide;N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide;N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-5-pyridin-3-ylthiophene-2-carboxamide;N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-5-pyridin-4-ylthiophene-2-carboxamide?

The canonical SMILES for 2-chloro-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-4-(1,2,4-triazol-4-yl)benzamide;N-[[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide;3-[[[3-(1,1-dioxo-1,4-thiazinan-4-yl)benzoyl]amino]methyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;3-[[[4-(5-ethyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]methyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[[4-[(2-methylimidazol-1-yl)methyl]benzoyl]amino]methyl]benzamide;N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide;N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-5-pyridin-3-ylthiophene-2-carboxamide;N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-5-pyridin-4-ylthiophene-2-carboxamide is CCc1nc(-c2ccc(C(=O)NCc3cccc(C(=O)Nc4ccc5c(c4)CN(C)CC5)c3)cc2)no1.CN(C)[C@H]1CCc2nc(NC(=O)c3cccc(CNC(=O)c4csc(-c5cccnc5)n4)c3)sc2C1.CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4ccc(-n5cnnc5)cc4Cl)c3)cc2C1.CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4cccc(N5CCS(=O)(=O)CC5)c4)c3)cc2C1.CN1CCc2nc(NC(=O)c3cccc(CNC(=O)c4ccc(-c5cccnc5)s4)c3)sc2C1.CN1CCc2nc(NC(=O)c3cccc(CNC(=O)c4ccc(-c5ccncc5)s4)c3)sc2C1.CN1CCc2nc(NC(=O)c3cccc(CNC(=O)c4ccc(-c5cnco5)s4)c3)sc2C1.Cc1nccn1Cc1ccc(C(=O)NCc2cccc(C(=O)Nc3ccc4c(c3)CN(C)CC4)c2)cc1.

What is the InChIKey of 2-chloro-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-4-(1,2,4-triazol-4-yl)benzamide;N-[[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide;3-[[[3-(1,1-dioxo-1,4-thiazinan-4-yl)benzoyl]amino]methyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;3-[[[4-(5-ethyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]methyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[[4-[(2-methylimidazol-1-yl)methyl]benzoyl]amino]methyl]benzamide;N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide;N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-5-pyridin-3-ylthiophene-2-carboxamide;N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-5-pyridin-4-ylthiophene-2-carboxamide?

The InChIKey is IHHXJFLEHXDTFR-AFDKGDPLSA-N. The full InChI is InChI=1S/C30H31N5O2.C29H29N5O3.C29H32N4O4S.C27H25ClN6O2.C26H26N6O2S2.2C25H23N5O2S2.C23H21N5O3S2/c1-21-31-13-15-35(21)19-22-6-8-25(9-7-22)29(36)32-18-23-4-3-5-26(16-23)30(37)33-28-11-10-24-12-14-34(2)20-27(24)17-28;1-3-26-32-27(33-37-26)21-7-9-22(10-8-21)28(35)30-17-19-5-4-6-23(15-19)29(36)31-25-12-11-20-13-14-34(2)18-24(20)16-25;1-32-11-10-22-8-9-26(17-25(22)20-32)31-29(35)23-5-2-4-21(16-23)19-30-28(34)24-6-3-7-27(18-24)33-12-14-38(36,37)15-13-33;1-33-10-9-19-5-6-22(12-21(19)15-33)32-26(35)20-4-2-3-18(11-20)14-29-27(36)24-8-7-23(13-25(24)28)34-16-30-31-17-34;1-32(2)19-8-9-20-22(12-19)36-26(30-20)31-23(33)17-6-3-5-16(11-17)13-28-24(34)21-15-35-25(29-21)18-7-4-10-27-14-18;1-30-11-9-19-22(15-30)34-25(28-19)29-23(31)17-5-2-4-16(12-17)13-27-24(32)21-8-7-20(33-21)18-6-3-10-26-14-18;1-30-12-9-19-22(15-30)34-25(28-19)29-23(31)18-4-2-3-16(13-18)14-27-24(32)21-6-5-20(33-21)17-7-10-26-11-8-17;1-28-8-7-16-20(12-28)33-23(26-16)27-21(29)15-4-2-3-14(9-15)10-25-22(30)19-6-5-18(32-19)17-11-24-13-31-17/h3-11,13,15-17H,12,14,18-20H2,1-2H3,(H,32,36)(H,33,37);4-12,15-16H,3,13-14,17-18H2,1-2H3,(H,30,35)(H,31,36);2-9,16-18H,10-15,19-20H2,1H3,(H,30,34)(H,31,35);2-8,11-13,16-17H,9-10,14-15H2,1H3,(H,29,36)(H,32,35);3-7,10-11,14-15,19H,8-9,12-13H2,1-2H3,(H,28,34)(H,30,31,33);2-8,10,12,14H,9,11,13,15H2,1H3,(H,27,32)(H,28,29,31);2-8,10-11,13H,9,12,14-15H2,1H3,(H,27,32)(H,28,29,31);2-6,9,11,13H,7-8,10,12H2,1H3,(H,25,30)(H,26,27,29)/t;;;;19-;;;/m....0.../s1.

What are the key properties of 2-chloro-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-4-(1,2,4-triazol-4-yl)benzamide;N-[[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide;3-[[[3-(1,1-dioxo-1,4-thiazinan-4-yl)benzoyl]amino]methyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;3-[[[4-(5-ethyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]methyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[[4-[(2-methylimidazol-1-yl)methyl]benzoyl]amino]methyl]benzamide;N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide;N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-5-pyridin-3-ylthiophene-2-carboxamide;N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-5-pyridin-4-ylthiophene-2-carboxamide?

2-chloro-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-4-(1,2,4-triazol-4-yl)benzamide;N-[[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide;3-[[[3-(1,1-dioxo-1,4-thiazinan-4-yl)benzoyl]amino]methyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;3-[[[4-(5-ethyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]methyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[[4-[(2-methylimidazol-1-yl)methyl]benzoyl]amino]methyl]benzamide;N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide;N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-5-pyridin-3-ylthiophene-2-carboxamide;N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-5-pyridin-4-ylthiophene-2-carboxamide has a molecular weight of 4000.36 g/mol, XLogP of 33.23, 51 rotatable bonds, 16 hydrogen bond donors, and 53 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-4-(1,2,4-triazol-4-yl)benzamide;N-[[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide;3-[[[3-(1,1-dioxo-1,4-thiazinan-4-yl)benzoyl]amino]methyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;3-[[[4-(5-ethyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]methyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[[4-[(2-methylimidazol-1-yl)methyl]benzoyl]amino]methyl]benzamide;N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide;N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-5-pyridin-3-ylthiophene-2-carboxamide;N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-5-pyridin-4-ylthiophene-2-carboxamide is sourced from PubChem (CID 158699166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).