Molecular Identity
Indibulin
2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide
PubChem CID: 2929
2D Structure
Properties
C22H16ClN3O2
Molecular Formula
389.80
Molecular Weight
g/mol
389.0931
Exact Mass
Da
3.9
XLogP
Drug-like (Lipinski: < 5)
64
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
3
H-Bond Acceptors
558
Complexity
SMILES
Canonical SMILES
SMILES: C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)Cl)C(=O)C(=O)NC4=CC=NC=C4Isomeric SMILES
SMILES: C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)Cl)C(=O)C(=O)NC4=CC=NC=C4Synonyms(20)
Indibulin204205-90-3d-24851ZIO-301IndibulinaIndibuline80K4H2RB8PD 24851DTXSID701743682-{1-[(4-Chlorophenyl)methyl]-1H-indol-3-yl}-2-oxo-N-(pyridin-4-yl)acetamideindibulinum2-(1-((4-chlorophenyl)methyl)-1H-indol-3-yl)-2-oxo-N-(pyridin-4-yl)acetamideRefChem:790909DTXCID0096859N-(Pyridin-4-yl)-(1-(4-chlorobenzyl)indol-3-yl)glycoxylamide
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Indibulin
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