Ombrabulin
(2S)-2-amino-3-hydroxy-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]propanamide
Molecular Identity
Ombrabulin
(2S)-2-amino-3-hydroxy-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]propanamide
PubChem CID: 6918405
2D Structure
Properties
C21H26N2O6
Molecular Formula
402.40
Molecular Weight
g/mol
402.1791
Exact Mass
Da
2.2
XLogP
Drug-like (Lipinski: < 5)
112
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
7
H-Bond Acceptors
517
Complexity
SMILES
Canonical SMILES
SMILES: COC1=C(C=C(C=C1)C=CC2=CC(=C(C(=C2)OC)OC)OC)NC(=O)C(CO)NIsomeric SMILES
SMILES: COC1=C(C=C(C=C1)/C=C\C2=CC(=C(C(=C2)OC)OC)OC)NC(=O)[C@H](CO)NSynonyms(20)
Ombrabulin181816-48-8AVE8062AC7700ombrabulinaombrabulineAVE-8062(2S)-2-amino-3-hydroxy-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]propanamide82JB1524Q6ombrabulinum(2S)-2-amino-3-hydroxy-N-(2-methoxy-5-((Z)-2-(3,4,5-trimethoxyphenyl)ethenyl)phenyl)propanamideRefChem:168189Combretastatin A4 Analogue AVE8062(2S)-2-amino-3-hydroxy-n-(2-methoxy-5-((1Z)-2-(3,4,5-trimethoxyphenyl)ethenyl)phenyl)propanamideOmbrabulin [INN]
Data from PubChem (NCBI)
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Drug Network
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