Mocravimod
2-amino-2-[2-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanylphenyl]ethyl]propane-1,3-diol
Molecular Identity
Mocravimod
2-amino-2-[2-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanylphenyl]ethyl]propane-1,3-diol
PubChem CID: 11155874
2D Structure
Properties
C24H26ClNO3S
Molecular Formula
444.00
Molecular Weight
g/mol
443.1322
Exact Mass
Da
4.3
XLogP
Drug-like (Lipinski: < 5)
101
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
5
H-Bond Acceptors
487
Complexity
SMILES
Canonical SMILES
SMILES: C1=CC=C(C=C1)COC2=CC(=CC=C2)SC3=CC(=C(C=C3)CCC(CO)(CO)N)ClIsomeric SMILES
SMILES: C1=CC=C(C=C1)COC2=CC(=CC=C2)SC3=CC(=C(C=C3)CCC(CO)(CO)N)ClSynonyms(20)
mocravimodKRP-203 free baseUNII-X71GCJ0HLIX71GCJ0HLIMOCRAVIMOD [INN]MOCRAVIMOD [WHO-DD]compound 2 [PMID: 23124563]compound 2 (PMID: 23124563)mocravimodumRefChem:159283509092-16-42-Amino-2-(2-(2-chloro-4-(3-benzyloxyphenylthio)phenyl)ethyl)-1,3-propanediolKRP2032-Amino-2-(4-((3-(benzyloxy)phenyl)thio)-2-chlorophenethyl)propane-1,3-diol2-amino-2-[2-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanylphenyl]ethyl]propane-1,3-diol
Data from PubChem (NCBI)
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