Merimepodib
[(3S)-oxolan-3-yl] N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate
Molecular Identity
Merimepodib
[(3S)-oxolan-3-yl] N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate
PubChem CID: 153241
2D Structure
Properties
C23H24N4O6
Molecular Formula
452.50
Molecular Weight
g/mol
452.1696
Exact Mass
Da
2.1
XLogP
Drug-like (Lipinski: < 5)
124
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
7
H-Bond Acceptors
652
Complexity
SMILES
Canonical SMILES
SMILES: COC1=C(C=CC(=C1)NC(=O)NC2=CC=CC(=C2)CNC(=O)OC3CCOC3)C4=CN=CO4Isomeric SMILES
SMILES: COC1=C(C=CC(=C1)NC(=O)NC2=CC=CC(=C2)CNC(=O)O[C@H]3CCOC3)C4=CN=CO4Synonyms(20)
Merimepodib198821-22-6VX-497MMPD2ZL2BA06FUVI-21497VI-21,497DTXSID70173639Carbamic acid, ((3-((((3-methoxy-4-(5-oxazolyl)phenyl)amino)carbonyl)amino)phenyl)methyl)-, (3S)-tetrahydro-3-furanyl ester(3S)-oxolan-3-yl N-{[3-({[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoyl}amino)phenyl]methyl}carbamate(3S)-oxolan-3-yl N-((3-(((3-methoxy-4-(1,3-oxazol-5-yl)phenyl)carbamoyl)amino)phenyl)methyl)carbamatecarbamic acid, [[3-[[[[3-methoxy-4-(5-oxazolyl)phenyl]amino]carbonyl]amino]phenyl]methyl]-, (3S)-tetrahydro-3-furanyl esterMERIMEPODIBUMRefChem:811132DTXCID6096130
Data from PubChem (NCBI)
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