Vafidemstat
5-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]-1,3,4-oxadiazol-2-amine
Molecular Identity
Vafidemstat
5-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]-1,3,4-oxadiazol-2-amine
PubChem CID: 66714983
2D Structure
Properties
C19H20N4O2
Molecular Formula
336.40
Molecular Weight
g/mol
336.1586
Exact Mass
Da
2.2
XLogP
Drug-like (Lipinski: < 5)
86.2
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
6
H-Bond Acceptors
410
Complexity
SMILES
Canonical SMILES
SMILES: C1C(C1NCC2=NN=C(O2)N)C3=CC=C(C=C3)OCC4=CC=CC=C4Isomeric SMILES
SMILES: C1[C@H]([C@@H]1NCC2=NN=C(O2)N)C3=CC=C(C=C3)OCC4=CC=CC=C4Synonyms(20)
Vafidemstat1357362-02-7ORY-2001LZ82JLT4UP1,3,4-Oxadiazole-2-methanamine, 5-amino-N-((1R,2S)-2-(4-(phenylmethoxy)phenyl)cyclopropyl)-1,3,4-Oxadiazole-2-methanamine, 4,5-dihydro-5-imino-N-((1R,2S)-2-(4-(phenylmethoxy)phenyl)cyclopropyl)-vafidemstatumRefChem:193488Vafidemstat [INN]UNII-LZ82JLT4UP5-((((1R,2S)-2-(4-(benzyloxy)phenyl)cyclopropyl)amino)methyl)-1,3,4-oxadiazol-2-amine5-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]-1,3,4-oxadiazol-2-amine(1R,2S)-2-(4-(Benzyloxy)phenyl)-N-((5-imino-4,5-dihydro-1,3,4-oxadiazol-2-yl)methyl)cyclopropanamineSCHEMBL528204Vafidemstat (ORY-2001)?
Data from PubChem (NCBI)
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