Lisavanbulin
(2S)-2,6-diamino-N-[4-[2-[2-[4-(2-cyanoethylamino)-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]acetyl]phenyl]hexanamide
Molecular Identity
Lisavanbulin
(2S)-2,6-diamino-N-[4-[2-[2-[4-(2-cyanoethylamino)-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]acetyl]phenyl]hexanamide
PubChem CID: 45259014
2D Structure
Properties
C26H29N9O3
Molecular Formula
515.60
Molecular Weight
g/mol
515.2393
Exact Mass
Da
1.5
XLogP
Drug-like (Lipinski: < 5)
191
TPSA
May have limited oral absorption
4
H-Bond Donors
10
H-Bond Acceptors
828
Complexity
SMILES
Canonical SMILES
SMILES: C1=CC=C2C(=C1)N=C(N2CC(=O)C3=CC=C(C=C3)NC(=O)C(CCCCN)N)C4=NON=C4NCCC#NIsomeric SMILES
SMILES: C1=CC=C2C(=C1)N=C(N2CC(=O)C3=CC=C(C=C3)NC(=O)[C@H](CCCCN)N)C4=NON=C4NCCC#NSynonyms(20)
Lisavanbulin1263384-43-5BAL101553BAL-101553LisavanbulinaLisavanbuline5PT0QP06X5MICROTUBULE-TARGETED AGENT BAL101553Hexanamide, 2,6-diamino-N-(4-(2-(2-(4-((2-cyanoethyl)amino)-1,2,5-oxadiazol-3-yl)-1H-benzimidazol-1-yl)acetyl)phenyl)-, (2S)-(2S)-2,6-Diamino-N-(4-(2-(2-(4-((2-cyanoethyl)amino)-1,2,5-oxadiazol-3-yl)-1H-benzimidazol-1-yl)acetyl)phenyl)hexanamidelisavanbulinum(2S)-2,6-Diamino-N-{4-[2-(2-{4-[(2-cyanoethyl)amino]-1,2,5-oxadiazol-3-yl}-1H-benzimidazol-1-yl)acetyl]phenyl}hexanamideRefChem:924823(2S)-2,6-diamino-N-(4-(2-(2-(4-((2-cyanoethyl)amino)-1,2,5-oxadiazol-3-yl)-1H-1,3-benzodiazol-1-yl)acetyl)phenyl)hexanamideLisavanbulin [INN]
Data from PubChem (NCBI)
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Drug Network
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