N-[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-[[1-[3-[4-[3-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]butanoylamino]propyl]triazol-4-yl]methyl]amino]-2-oxoethyl]-propylamino]-2-oxoethyl]-propylamino]-2-oxoethyl]-propylamino]-2-oxoethyl]-propylamino]-2-oxoethyl]-1-methyl-N-[[1-[3-[4-[3-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]butanoylamino]propyl]triazol-4-yl]methyl]-6-sulfanylidenepyridine-2-carboxamide

C101H126N28O11S — CID 71499512

IUPACN-[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-[[1-[3-[4-[3-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]butanoylamino]propyl]triazol-4-yl]methyl]amino]-2-oxoethyl]-propylamino]-2-oxoethyl]-propylamino]-2-oxoethyl]-propylamino]-2-oxoethyl]-propylamino]-2-oxoethyl]-1-methyl-N-[[1-[3-[4-[3-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]butanoylamino]propyl]triazol-4-yl]methyl]-6-sulfanylidenepyridine-2-carboxamide
SMILESCCCN(CC(=O)N(CCC)CC(=O)N(CC(N)=O)Cc1cn(CCCNC(=O)CCCOc2cccc(-c3nc4ccc(-c5nc6ccc(N7CCN(C)CC7)cc6[nH]5)cc4[nH]3)c2)nn1)C(=O)CN(CCC)C(=O)CN(CCC)C(=O)CN(Cc1cn(CCCNC(=O)CCCOc2cccc(-c3nc4ccc(-c5nc6ccc(N7CCN(C)CC7)cc6[nH]5)cc4[nH]3)c2)nn1)C(=O)c1cccc(=S)n1C
InChIInChI=1S/C101H126N28O11S/c1-8-37-122(64-91(133)123(38-9-2)65-93(135)125(40-11-4)67-95(137)126(63-88(102)130)59-73-61-128(115-113-73)41-17-35-103-89(131)24-15-51-139-77-21-12-19-69(53-77)97-105-79-31-27-71(55-83(79)109-97)99-107-81-33-29-75(57-85(81)111-99)120-47-43-117(5)44-48-120)92(134)66-124(39-10-3)94(136)68-127(101(138)87-23-14-26-96(141)119(87)7)60-74-62-129(116-114-74)42-18-36-104-90(132)25-16-52-140-78-22-13-20-70(54-78)98-106-80-32-28-72(56-84(80)110-98)100-108-82-34-30-76(58-86(82)112-100)121-49-45-118(6)46-50-121/h12-14,19-23,26-34,53-58,61-62H,8-11,15-18,24-25,35-52,59-60,63-68H2,1-7H3,(H2,102,130)(H,103,131)(H,104,132)(H,105,109)(H,106,110)(H,107,111)(H,108,112)
InChIKeyXWCLWQMETPIZJT-UHFFFAOYSA-N
MW1940.37 g/mol
LogP9.46
Rot. Bonds49

About N-[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-[[1-[3-[4-[3-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]butanoylamino]propyl]triazol-4-yl]methyl]amino]-2-oxoethyl]-propylamino]-2-oxoethyl]-propylamino]-2-oxoethyl]-propylamino]-2-oxoethyl]-propylamino]-2-oxoethyl]-1-methyl-N-[[1-[3-[4-[3-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]butanoylamino]propyl]triazol-4-yl]methyl]-6-sulfanylidenepyridine-2-carboxamide

N-[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-[[1-[3-[4-[3-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]butanoylamino]propyl]triazol-4-yl]methyl]amino]-2-oxoethyl]-propylamino]-2-oxoethyl]-propylamino]-2-oxoethyl]-propylamino]-2-oxoethyl]-propylamino]-2-oxoethyl]-1-methyl-N-[[1-[3-[4-[3-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]butanoylamino]propyl]triazol-4-yl]methyl]-6-sulfanylidenepyridine-2-carboxamide (PubChem CID 71499512) has the molecular formula C101H126N28O11S and a molecular weight of 1940.37 g/mol. Its IUPAC name is N-[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-[[1-[3-[4-[3-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]butanoylamino]propyl]triazol-4-yl]methyl]amino]-2-oxoethyl]-propylamino]-2-oxoethyl]-propylamino]-2-oxoethyl]-propylamino]-2-oxoethyl]-propylamino]-2-oxoethyl]-1-methyl-N-[[1-[3-[4-[3-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]butanoylamino]propyl]triazol-4-yl]methyl]-6-sulfanylidenepyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-[[1-[3-[4-[3-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]butanoylamino]propyl]triazol-4-yl]methyl]amino]-2-oxoethyl]-propylamino]-2-oxoethyl]-propylamino]-2-oxoethyl]-propylamino]-2-oxoethyl]-propylamino]-2-oxoethyl]-1-methyl-N-[[1-[3-[4-[3-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]butanoylamino]propyl]triazol-4-yl]methyl]-6-sulfanylidenepyridine-2-carboxamide
PubChem CID71499512
Molecular FormulaC101H126N28O11S
Molecular Weight1940.37 g/mol
Exact Mass1938.99
IUPAC NameN-[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-[[1-[3-[4-[3-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]butanoylamino]propyl]triazol-4-yl]methyl]amino]-2-oxoethyl]-propylamino]-2-oxoethyl]-propylamino]-2-oxoethyl]-propylamino]-2-oxoethyl]-propylamino]-2-oxoethyl]-1-methyl-N-[[1-[3-[4-[3-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]butanoylamino]propyl]triazol-4-yl]methyl]-6-sulfanylidenepyridine-2-carboxamide
SMILESCCCN(CC(=O)N(CCC)CC(=O)N(CC(N)=O)Cc1cn(CCCNC(=O)CCCOc2cccc(-c3nc4ccc(-c5nc6ccc(N7CCN(C)CC7)cc6[nH]5)cc4[nH]3)c2)nn1)C(=O)CN(CCC)C(=O)CN(CCC)C(=O)CN(Cc1cn(CCCNC(=O)CCCOc2cccc(-c3nc4ccc(-c5nc6ccc(N7CCN(C)CC7)cc6[nH]5)cc4[nH]3)c2)nn1)C(=O)c1cccc(=S)n1C
InChIInChI=1S/C101H126N28O11S/c1-8-37-122(64-91(133)123(38-9-2)65-93(135)125(40-11-4)67-95(137)126(63-88(102)130)59-73-61-128(115-113-73)41-17-35-103-89(131)24-15-51-139-77-21-12-19-69(53-77)97-105-79-31-27-71(55-83(79)109-97)99-107-81-33-29-75(57-85(81)111-99)120-47-43-117(5)44-48-120)92(134)66-124(39-10-3)94(136)68-127(101(138)87-23-14-26-96(141)119(87)7)60-74-62-129(116-114-74)42-18-36-104-90(132)25-16-52-140-78-22-13-20-70(54-78)98-106-80-32-28-72(56-84(80)110-98)100-108-82-34-30-76(58-86(82)112-100)121-49-45-118(6)46-50-121/h12-14,19-23,26-34,53-58,61-62H,8-11,15-18,24-25,35-52,59-60,63-68H2,1-7H3,(H2,102,130)(H,103,131)(H,104,132)(H,105,109)(H,106,110)(H,107,111)(H,108,112)
InChIKeyXWCLWQMETPIZJT-UHFFFAOYSA-N
XLogP9.46
TPSA435.64 Ų
H-Bond Donors7
H-Bond Acceptors27
Rotatable Bonds49
Heavy Atoms141
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001940.37
LogP ≤ 59.46
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze N-[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-[[1-[3-[4-[3-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]butanoylamino]propyl]triazol-4-yl]methyl]amino]-2-oxoethyl]-propylamino]-2-oxoethyl]-propylamino]-2-oxoethyl]-propylamino]-2-oxoethyl]-propylamino]-2-oxoethyl]-1-methyl-N-[[1-[3-[4-[3-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]butanoylamino]propyl]triazol-4-yl]methyl]-6-sulfanylidenepyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[4-[[(2-amino-2-oxoethyl)-[2-[[2-[4-[3-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]butanoyl-propylamino]acetyl]-propylamino]acetyl]amino]methyl]triazol-1-yl]propyl]-4-[2,6-ditert-butyl-4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]phenoxy]butanamide
CID 90479856
N-[3-[4-[[(2-amino-2-oxoethyl)-[2-[[2-[[2-[4-[3-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]butanoyl-propylamino]acetyl]-propylamino]acetyl]-propylamino]acetyl]amino]methyl]triazol-1-yl]propyl]-4-[2,6-ditert-butyl-4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]phenoxy]butanamide
CID 121442949
N-[3-[5-[[(2-amino-2-oxoethyl)-[2-[[2-[[2-[4-[3-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]butanoyl-propylamino]acetyl]-propylamino]acetyl]-propylamino]acetyl]amino]methyl]-1,2-dihydrotriazol-3-yl]propyl]-4-[2,6-ditert-butyl-4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]phenoxy]butanamide;N-[3-[4-[[(2-amino-2-oxoethyl)-[2-[[2-[4-[3-[5-[5-(4-methylpiperazin-1-yl)-3H-indol-2-yl]-3H-indol-2-yl]phenoxy]butanoyl-propylamino]acetyl]-propylamino]acetyl]amino]methyl]triazol-1-yl]propyl]-4-[2,6-ditert-butyl-4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]phenoxy]butanamide;N-[3-[5-[[(2-amino-2-oxoethyl)-[2-[[2-[[2-[[2-[4-[3-[5-[5-(4-methylpiperazin-1-yl)-3H-indol-2-yl]-3H-indol-2-yl]phenoxy]butanoyl-propylamino]acetyl]-propylamino]acetyl]-propylamino]acetyl]-propylamino]acetyl]amino]methyl]-1,2-dihydrotriazol-3-yl]propyl]-4-[2,6-ditert-butyl-4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]phenoxy]butanamide
CID 159446909
4-[3-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]-N-[3-[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]propyl]butanamide
CID 166963213
N-[3-[5-[[(2-amino-2-oxoethyl)-[2-[[2-[[2-[4-[3-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]butanoyl-propylamino]acetyl]-propylamino]acetyl]-propylamino]acetyl]amino]methyl]-1,2-dihydrotriazol-3-yl]propyl]-4-[2,6-ditert-butyl-4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]phenoxy]butanamide
CID 121442943
N-(3-aminopropyl)-4-[3-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]butanamide
CID 130330206
N-[3-[4-[[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-[[1-[3-[4-[2,6-ditert-butyl-4-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-benzimidazol-2-yl]phenoxy]butanoylamino]propyl]triazol-4-yl]methyl]amino]-2-oxoethyl]-propylamino]-2-oxoethyl]-propylamino]-2-oxoethyl]-propylamino]-2-oxoethyl]amino]methyl]triazol-1-yl]propyl]-4-[2,6-ditert-butyl-4-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-benzimidazol-2-yl]phenoxy]butanamide
CID 168742112
N-[3-[[(Z)-2-amino-3-[(2-amino-2-oxoethyl)-[2-[[2-[4-[3-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]butanoyl-propylamino]acetyl]-propylamino]acetyl]amino]prop-1-enyl]amino]propyl]-4-[2-tert-butyl-4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-6-propan-2-ylphenoxy]butanamide
CID 163913717
N-[3-[(2-amino-2-oxoethyl)-[2-[[2-[[2-[2-hydroxyethyl-[2-[4-[3-[6-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]butanoyl-(3-oxo-3-pyrrolidin-1-ylpropyl)amino]acetyl]amino]acetyl]-[4-(methylamino)butyl]amino]acetyl]-(3-oxo-3-pyrrolidin-1-ylpropyl)amino]acetyl]amino]propyl]-4-[3-[6-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]butanamide
CID 162646734
2-[[2-[4-[3-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]butanoyl-propylamino]acetyl]-prop-2-ynylamino]acetic acid
CID 162493159
2-(3-butoxyphenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole
CID 166963203
N-(2-aminoethyl)-5-[4-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]pentanamide;tetrakis(2,2,2-trifluoroacetic acid)
CID 174053425

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-[[1-[3-[4-[3-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]butanoylamino]propyl]triazol-4-yl]methyl]amino]-2-oxoethyl]-propylamino]-2-oxoethyl]-propylamino]-2-oxoethyl]-propylamino]-2-oxoethyl]-propylamino]-2-oxoethyl]-1-methyl-N-[[1-[3-[4-[3-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]butanoylamino]propyl]triazol-4-yl]methyl]-6-sulfanylidenepyridine-2-carboxamide?
The IUPAC name of N-[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-[[1-[3-[4-[3-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]butanoylamino]propyl]triazol-4-yl]methyl]amino]-2-oxoethyl]-propylamino]-2-oxoethyl]-propylamino]-2-oxoethyl]-propylamino]-2-oxoethyl]-propylamino]-2-oxoethyl]-1-methyl-N-[[1-[3-[4-[3-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]butanoylamino]propyl]triazol-4-yl]methyl]-6-sulfanylidenepyridine-2-carboxamide (CID 71499512) is N-[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-[[1-[3-[4-[3-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]butanoylamino]propyl]triazol-4-yl]methyl]amino]-2-oxoethyl]-propylamino]-2-oxoethyl]-propylamino]-2-oxoethyl]-propylamino]-2-oxoethyl]-propylamino]-2-oxoethyl]-1-methyl-N-[[1-[3-[4-[3-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]butanoylamino]propyl]triazol-4-yl]methyl]-6-sulfanylidenepyridine-2-carboxamide.
What is the SMILES notation for N-[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-[[1-[3-[4-[3-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]butanoylamino]propyl]triazol-4-yl]methyl]amino]-2-oxoethyl]-propylamino]-2-oxoethyl]-propylamino]-2-oxoethyl]-propylamino]-2-oxoethyl]-propylamino]-2-oxoethyl]-1-methyl-N-[[1-[3-[4-[3-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]butanoylamino]propyl]triazol-4-yl]methyl]-6-sulfanylidenepyridine-2-carboxamide?
The canonical SMILES for N-[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-[[1-[3-[4-[3-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]butanoylamino]propyl]triazol-4-yl]methyl]amino]-2-oxoethyl]-propylamino]-2-oxoethyl]-propylamino]-2-oxoethyl]-propylamino]-2-oxoethyl]-propylamino]-2-oxoethyl]-1-methyl-N-[[1-[3-[4-[3-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]butanoylamino]propyl]triazol-4-yl]methyl]-6-sulfanylidenepyridine-2-carboxamide is CCCN(CC(=O)N(CCC)CC(=O)N(CC(N)=O)Cc1cn(CCCNC(=O)CCCOc2cccc(-c3nc4ccc(-c5nc6ccc(N7CCN(C)CC7)cc6[nH]5)cc4[nH]3)c2)nn1)C(=O)CN(CCC)C(=O)CN(CCC)C(=O)CN(Cc1cn(CCCNC(=O)CCCOc2cccc(-c3nc4ccc(-c5nc6ccc(N7CCN(C)CC7)cc6[nH]5)cc4[nH]3)c2)nn1)C(=O)c1cccc(=S)n1C.
What is the InChIKey of N-[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-[[1-[3-[4-[3-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]butanoylamino]propyl]triazol-4-yl]methyl]amino]-2-oxoethyl]-propylamino]-2-oxoethyl]-propylamino]-2-oxoethyl]-propylamino]-2-oxoethyl]-propylamino]-2-oxoethyl]-1-methyl-N-[[1-[3-[4-[3-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]butanoylamino]propyl]triazol-4-yl]methyl]-6-sulfanylidenepyridine-2-carboxamide?
The InChIKey is XWCLWQMETPIZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C101H126N28O11S/c1-8-37-122(64-91(133)123(38-9-2)65-93(135)125(40-11-4)67-95(137)126(63-88(102)130)59-73-61-128(115-113-73)41-17-35-103-89(131)24-15-51-139-77-21-12-19-69(53-77)97-105-79-31-27-71(55-83(79)109-97)99-107-81-33-29-75(57-85(81)111-99)120-47-43-117(5)44-48-120)92(134)66-124(39-10-3)94(136)68-127(101(138)87-23-14-26-96(141)119(87)7)60-74-62-129(116-114-74)42-18-36-104-90(132)25-16-52-140-78-22-13-20-70(54-78)98-106-80-32-28-72(56-84(80)110-98)100-108-82-34-30-76(58-86(82)112-100)121-49-45-118(6)46-50-121/h12-14,19-23,26-34,53-58,61-62H,8-11,15-18,24-25,35-52,59-60,63-68H2,1-7H3,(H2,102,130)(H,103,131)(H,104,132)(H,105,109)(H,106,110)(H,107,111)(H,108,112).
What are the key properties of N-[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-[[1-[3-[4-[3-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]butanoylamino]propyl]triazol-4-yl]methyl]amino]-2-oxoethyl]-propylamino]-2-oxoethyl]-propylamino]-2-oxoethyl]-propylamino]-2-oxoethyl]-propylamino]-2-oxoethyl]-1-methyl-N-[[1-[3-[4-[3-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]butanoylamino]propyl]triazol-4-yl]methyl]-6-sulfanylidenepyridine-2-carboxamide?
N-[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-[[1-[3-[4-[3-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]butanoylamino]propyl]triazol-4-yl]methyl]amino]-2-oxoethyl]-propylamino]-2-oxoethyl]-propylamino]-2-oxoethyl]-propylamino]-2-oxoethyl]-propylamino]-2-oxoethyl]-1-methyl-N-[[1-[3-[4-[3-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]butanoylamino]propyl]triazol-4-yl]methyl]-6-sulfanylidenepyridine-2-carboxamide has a molecular weight of 1940.37 g/mol, XLogP of 9.46, 49 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-[[1-[3-[4-[3-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]butanoylamino]propyl]triazol-4-yl]methyl]amino]-2-oxoethyl]-propylamino]-2-oxoethyl]-propylamino]-2-oxoethyl]-propylamino]-2-oxoethyl]-propylamino]-2-oxoethyl]-1-methyl-N-[[1-[3-[4-[3-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]butanoylamino]propyl]triazol-4-yl]methyl]-6-sulfanylidenepyridine-2-carboxamide is sourced from PubChem (CID 71499512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).