Purvalanol A
(2R)-2-[[6-(3-chloroanilino)-9-propan-2-ylpurin-2-yl]amino]-3-methylbutan-1-ol
Molecular Identity
Purvalanol A
(2R)-2-[[6-(3-chloroanilino)-9-propan-2-ylpurin-2-yl]amino]-3-methylbutan-1-ol
PubChem CID: 456214
Purvalanol A is a purvalanol.
2D Structure
Properties
C19H25ClN6O
Molecular Formula
388.90
Molecular Weight
g/mol
388.1778
Exact Mass
Da
4.3
XLogP
Drug-like (Lipinski: < 5)
87.9
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
6
H-Bond Acceptors
467
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)C(CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NC3=CC(=CC=C3)ClIsomeric SMILES
SMILES: CC(C)[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NC3=CC(=CC=C3)ClSynonyms(20)
purvalanol A212844-53-6PurvYP483E75C42-(1R-Isopropyl-2-hydroxyethylamino)-6-(3-chloroanilino)-9-isopropylpurinePURVALANOLA(2R)-2-[[6-(3-chloroanilino)-9-propan-2-ylpurin-2-yl]amino]-3-methylbutan-1-olCHEBI:47600DTXSID30175553(2R)-2-((6-(3-chloroanilino)-9-propan-2-ylpurin-2-yl)amino)-3-methylbutan-1-olRefChem:870379DTXCID10980442-((6-((3-chlorophenyl)amino)-9-(propan-2-yl)-9H-purin-2-yl)amino)-3-methylbutan-1-olNG-60MFCD02179211
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Purvalanol A
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