Molecular Identity
Bizelesin
1,3-bis[2-[(8S)-8-(chloromethyl)-4-hydroxy-1-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-1H-indol-5-yl]urea
PubChem CID: 60794
2D Structure
Properties
C43H36Cl2N8O5
Molecular Formula
815.70
Molecular Weight
g/mol
814.2186
Exact Mass
Da
6.5
XLogP
Above Lipinski threshold
185
TPSA
May have limited oral absorption
8
H-Bond Donors
5
H-Bond Acceptors
1470
Complexity
SMILES
Canonical SMILES
SMILES: CC1=CNC2=C(C=C3C(=C12)C(CN3C(=O)C4=CC5=C(N4)C=CC(=C5)NC(=O)NC6=CC7=C(C=C6)NC(=C7)C(=O)N8CC(C9=C1C(=CNC1=C(C=C98)O)C)CCl)CCl)OIsomeric SMILES
SMILES: CC1=CNC2=C(C=C3C(=C12)[C@@H](CN3C(=O)C4=CC5=C(N4)C=CC(=C5)NC(=O)NC6=CC7=C(C=C6)NC(=C7)C(=O)N8C[C@H](C9=C1C(=CNC1=C(C=C98)O)C)CCl)CCl)OSynonyms(20)
BIZELESIN129655-21-6U-77779BizelesinaBizelesineNSC-615291L0O9OBI87EU 77779U-77,779DTXSID00156213Benzo(1,2-b:4,3-b')dipyrrol-4-ol, 6,6'-(carbonylbis(imino-1H-indole-5,2-diylcarbonyl))bis(8-(chloromethyl)-3,6,7,8-tetrahydro-1-methyl-, (S-(R*,R*))-bizelesinumRefChem:569596DTXCID4078704Benzo(1,2-b:4,3-b')dipyrrol-4-ol, 6,6'-(carbonylbis(imino-1H-indole-5,2-diylcarbonyl))bis(8-(chloromethyl)-3,6,7,8-tetrahydro-1-methyl-, (S-(R*,R*)))
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Bizelesin
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