5-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-[2-(dimethylamino)ethylsulfanyl]phenyl]-2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-[2-(dimethylamino)-2-oxoethyl]sulfanylphenyl]-2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzamide;N-(5-chloro-2-pyridinyl)-5-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]sulfanyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfanylbenzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-5-(2-oxo-2-piperazin-1-ylethyl)sulfanylbenzamide

C175H183Cl6F2N39O17S6 — CID 158653447

About 5-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-[2-(dimethylamino)ethylsulfanyl]phenyl]-2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-[2-(dimethylamino)-2-oxoethyl]sulfanylphenyl]-2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzamide;N-(5-chloro-2-pyridinyl)-5-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]sulfanyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfanylbenzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-5-(2-oxo-2-piperazin-1-ylethyl)sulfanylbenzamide

5-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-[2-(dimethylamino)ethylsulfanyl]phenyl]-2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-[2-(dimethylamino)-2-oxoethyl]sulfanylphenyl]-2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzamide;N-(5-chloro-2-pyridinyl)-5-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]sulfanyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfanylbenzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-5-(2-oxo-2-piperazin-1-ylethyl)sulfanylbenzamide (PubChem CID 158653447) has the molecular formula C175H183Cl6F2N39O17S6 and a molecular weight of 3547.76 g/mol. Its IUPAC name is 5-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-[2-(dimethylamino)ethylsulfanyl]phenyl]-2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-[2-(dimethylamino)-2-oxoethyl]sulfanylphenyl]-2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzamide;N-(5-chloro-2-pyridinyl)-5-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]sulfanyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfanylbenzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-5-(2-oxo-2-piperazin-1-ylethyl)sulfanylbenzamide.

Molecular Properties

• Compound Name: 5-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-[2-(dimethylamino)ethylsulfanyl]phenyl]-2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-[2-(dimethylamino)-2-oxoethyl]sulfanylphenyl]-2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzamide;N-(5-chloro-2-pyridinyl)-5-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]sulfanyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfanylbenzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-5-(2-oxo-2-piperazin-1-ylethyl)sulfanylbenzamide
• PubChem CID: 158653447
• Molecular Formula: C175H183Cl6F2N39O17S6
• Molecular Weight: 3547.76 g/mol
• Exact Mass: 3542.11
• IUPAC Name: 5-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-[2-(dimethylamino)ethylsulfanyl]phenyl]-2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-[2-(dimethylamino)-2-oxoethyl]sulfanylphenyl]-2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzamide;N-(5-chloro-2-pyridinyl)-5-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]sulfanyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfanylbenzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-5-(2-oxo-2-piperazin-1-ylethyl)sulfanylbenzamide
• SMILES: CN(C)C(=O)CSc1ccc(NC(=O)c2ccc(C3=NCCN3C)cc2F)c(C(=O)Nc2ccc(Cl)cn2)c1.CN(C)CCSc1ccc(NC(=O)c2ccc(C3=NCCN3C)cc2F)c(C(=O)Nc2ccc(Cl)cn2)c1.CN1CCCN(C(=O)CSc2ccc(NC(=O)c3ccc(C4=NCCN4C)cc3)c(C(=O)Nc3ccc(Cl)cn3)c2)CC1.CN1CCN(C(=O)CSc2ccc(NC(=O)c3ccc(C4=NCCN4C)cc3)c(C(=O)Nc3ccc(Cl)cn3)c2)CC1.CN1CCN=C1c1ccc(C(=O)Nc2ccc(SCC(=O)N3CCCCCC3)cc2C(=O)Nc2ccc(Cl)cn2)cc1.CN1CCN=C1c1ccc(C(=O)Nc2ccc(SCC(=O)N3CCNCC3)cc2C(=O)Nc2ccc(Cl)cn2)cc1
• InChI: InChI=1S/C31H34ClN7O3S.C31H33ClN6O3S.C30H32ClN7O3S.C29H30ClN7O3S.C27H26ClFN6O3S.C27H28ClFN6O2S/c1-37-13-3-14-39(17-16-37)28(40)20-43-24-9-10-26(25(18-24)31(42)36-27-11-8-23(32)19-34-27)35-30(41)22-6-4-21(5-7-22)29-33-12-15-38(29)2;1-37-17-14-33-29(37)21-6-8-22(9-7-21)30(40)35-26-12-11-24(42-20-28(39)38-15-4-2-3-5-16-38)18-25(26)31(41)36-27-13-10-23(32)19-34-27;1-36-13-15-38(16-14-36)27(39)19-42-23-8-9-25(24(17-23)30(41)35-26-10-7-22(31)18-33-26)34-29(40)21-5-3-20(4-6-21)28-32-11-12-37(28)2;1-36-13-12-32-27(36)19-2-4-20(5-3-19)28(39)34-24-8-7-22(41-18-26(38)37-14-10-31-11-15-37)16-23(24)29(40)35-25-9-6-21(30)17-33-25;1-34(2)24(36)15-39-18-6-8-22(20(13-18)27(38)33-23-9-5-17(28)14-31-23)32-26(37)19-7-4-16(12-21(19)29)25-30-10-11-35(25)3;1-34(2)12-13-38-19-6-8-23(21(15-19)27(37)33-24-9-5-18(28)16-31-24)32-26(36)20-7-4-17(14-22(20)29)25-30-10-11-35(25)3/h4-11,18-19H,3,12-17,20H2,1-2H3,(H,35,41)(H,34,36,42);6-13,18-19H,2-5,14-17,20H2,1H3,(H,35,40)(H,34,36,41);3-10,17-18H,11-16,19H2,1-2H3,(H,34,40)(H,33,35,41);2-9,16-17,31H,10-15,18H2,1H3,(H,34,39)(H,33,35,40);4-9,12-14H,10-11,15H2,1-3H3,(H,32,37)(H,31,33,38);4-9,14-16H,10-13H2,1-3H3,(H,32,36)(H,31,33,37)
• InChIKey: IBVHYFYTWZSMLP-UHFFFAOYSA-N
• XLogP: 25.84
• TPSA: 643.44 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 45
• Rotatable Bonds: 49
• Heavy Atoms: 245
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3547.76
LogP ≤ 5	25.84
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	45

Frequently Asked Questions

What is the IUPAC name of 5-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-[2-(dimethylamino)ethylsulfanyl]phenyl]-2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-[2-(dimethylamino)-2-oxoethyl]sulfanylphenyl]-2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzamide;N-(5-chloro-2-pyridinyl)-5-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]sulfanyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfanylbenzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-5-(2-oxo-2-piperazin-1-ylethyl)sulfanylbenzamide?

The IUPAC name of 5-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-[2-(dimethylamino)ethylsulfanyl]phenyl]-2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-[2-(dimethylamino)-2-oxoethyl]sulfanylphenyl]-2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzamide;N-(5-chloro-2-pyridinyl)-5-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]sulfanyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfanylbenzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-5-(2-oxo-2-piperazin-1-ylethyl)sulfanylbenzamide (CID 158653447) is 5-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-[2-(dimethylamino)ethylsulfanyl]phenyl]-2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-[2-(dimethylamino)-2-oxoethyl]sulfanylphenyl]-2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzamide;N-(5-chloro-2-pyridinyl)-5-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]sulfanyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfanylbenzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-5-(2-oxo-2-piperazin-1-ylethyl)sulfanylbenzamide.

What is the SMILES notation for 5-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-[2-(dimethylamino)ethylsulfanyl]phenyl]-2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-[2-(dimethylamino)-2-oxoethyl]sulfanylphenyl]-2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzamide;N-(5-chloro-2-pyridinyl)-5-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]sulfanyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfanylbenzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-5-(2-oxo-2-piperazin-1-ylethyl)sulfanylbenzamide?

The canonical SMILES for 5-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-[2-(dimethylamino)ethylsulfanyl]phenyl]-2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-[2-(dimethylamino)-2-oxoethyl]sulfanylphenyl]-2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzamide;N-(5-chloro-2-pyridinyl)-5-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]sulfanyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfanylbenzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-5-(2-oxo-2-piperazin-1-ylethyl)sulfanylbenzamide is CN(C)C(=O)CSc1ccc(NC(=O)c2ccc(C3=NCCN3C)cc2F)c(C(=O)Nc2ccc(Cl)cn2)c1.CN(C)CCSc1ccc(NC(=O)c2ccc(C3=NCCN3C)cc2F)c(C(=O)Nc2ccc(Cl)cn2)c1.CN1CCCN(C(=O)CSc2ccc(NC(=O)c3ccc(C4=NCCN4C)cc3)c(C(=O)Nc3ccc(Cl)cn3)c2)CC1.CN1CCN(C(=O)CSc2ccc(NC(=O)c3ccc(C4=NCCN4C)cc3)c(C(=O)Nc3ccc(Cl)cn3)c2)CC1.CN1CCN=C1c1ccc(C(=O)Nc2ccc(SCC(=O)N3CCCCCC3)cc2C(=O)Nc2ccc(Cl)cn2)cc1.CN1CCN=C1c1ccc(C(=O)Nc2ccc(SCC(=O)N3CCNCC3)cc2C(=O)Nc2ccc(Cl)cn2)cc1.

What is the InChIKey of 5-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-[2-(dimethylamino)ethylsulfanyl]phenyl]-2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-[2-(dimethylamino)-2-oxoethyl]sulfanylphenyl]-2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzamide;N-(5-chloro-2-pyridinyl)-5-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]sulfanyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfanylbenzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-5-(2-oxo-2-piperazin-1-ylethyl)sulfanylbenzamide?

The InChIKey is IBVHYFYTWZSMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34ClN7O3S.C31H33ClN6O3S.C30H32ClN7O3S.C29H30ClN7O3S.C27H26ClFN6O3S.C27H28ClFN6O2S/c1-37-13-3-14-39(17-16-37)28(40)20-43-24-9-10-26(25(18-24)31(42)36-27-11-8-23(32)19-34-27)35-30(41)22-6-4-21(5-7-22)29-33-12-15-38(29)2;1-37-17-14-33-29(37)21-6-8-22(9-7-21)30(40)35-26-12-11-24(42-20-28(39)38-15-4-2-3-5-16-38)18-25(26)31(41)36-27-13-10-23(32)19-34-27;1-36-13-15-38(16-14-36)27(39)19-42-23-8-9-25(24(17-23)30(41)35-26-10-7-22(31)18-33-26)34-29(40)21-5-3-20(4-6-21)28-32-11-12-37(28)2;1-36-13-12-32-27(36)19-2-4-20(5-3-19)28(39)34-24-8-7-22(41-18-26(38)37-14-10-31-11-15-37)16-23(24)29(40)35-25-9-6-21(30)17-33-25;1-34(2)24(36)15-39-18-6-8-22(20(13-18)27(38)33-23-9-5-17(28)14-31-23)32-26(37)19-7-4-16(12-21(19)29)25-30-10-11-35(25)3;1-34(2)12-13-38-19-6-8-23(21(15-19)27(37)33-24-9-5-18(28)16-31-24)32-26(36)20-7-4-17(14-22(20)29)25-30-10-11-35(25)3/h4-11,18-19H,3,12-17,20H2,1-2H3,(H,35,41)(H,34,36,42);6-13,18-19H,2-5,14-17,20H2,1H3,(H,35,40)(H,34,36,41);3-10,17-18H,11-16,19H2,1-2H3,(H,34,40)(H,33,35,41);2-9,16-17,31H,10-15,18H2,1H3,(H,34,39)(H,33,35,40);4-9,12-14H,10-11,15H2,1-3H3,(H,32,37)(H,31,33,38);4-9,14-16H,10-13H2,1-3H3,(H,32,36)(H,31,33,37).

What are the key properties of 5-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-[2-(dimethylamino)ethylsulfanyl]phenyl]-2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-[2-(dimethylamino)-2-oxoethyl]sulfanylphenyl]-2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzamide;N-(5-chloro-2-pyridinyl)-5-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]sulfanyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfanylbenzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-5-(2-oxo-2-piperazin-1-ylethyl)sulfanylbenzamide?

5-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-[2-(dimethylamino)ethylsulfanyl]phenyl]-2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-[2-(dimethylamino)-2-oxoethyl]sulfanylphenyl]-2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzamide;N-(5-chloro-2-pyridinyl)-5-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]sulfanyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfanylbenzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-5-(2-oxo-2-piperazin-1-ylethyl)sulfanylbenzamide has a molecular weight of 3547.76 g/mol, XLogP of 25.84, 49 rotatable bonds, 13 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-[2-(dimethylamino)ethylsulfanyl]phenyl]-2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-[2-(dimethylamino)-2-oxoethyl]sulfanylphenyl]-2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzamide;N-(5-chloro-2-pyridinyl)-5-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]sulfanyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfanylbenzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-5-(2-oxo-2-piperazin-1-ylethyl)sulfanylbenzamide is sourced from PubChem (CID 158653447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).