Fadraciclib
(2R,3S)-3-[[6-[(4,6-dimethyl-3-pyridinyl)methylamino]-9-propan-2-ylpurin-2-yl]amino]pentan-2-ol
Molecular Identity
Fadraciclib
(2R,3S)-3-[[6-[(4,6-dimethyl-3-pyridinyl)methylamino]-9-propan-2-ylpurin-2-yl]amino]pentan-2-ol
PubChem CID: 24983461
2D Structure
Properties
C21H31N7O
Molecular Formula
397.50
Molecular Weight
g/mol
397.2590
Exact Mass
Da
3.3
XLogP
Drug-like (Lipinski: < 5)
101
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
7
H-Bond Acceptors
507
Complexity
SMILES
Canonical SMILES
SMILES: CCC(C(C)O)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CN=C(C=C3C)CIsomeric SMILES
SMILES: CC[C@@H]([C@@H](C)O)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CN=C(C=C3C)CSynonyms(20)
fadraciclibCYC0651070790-89-4CYC-065YET2XNU791(2R,3S)-3-[[6-[(4,6-dimethylpyridin-3-yl)methylamino]-9-propan-2-ylpurin-2-yl]amino]pentan-2-ol2-Pentanol, 3-((6-(((4,6-dimethyl-3-pyridinyl)methyl)amino)-9-(1-methylethyl)-9H-purin-2-yl)amino)-, (2R,3S)-(2R,3S)-3-((6-((4,6-dimethylpyridin-3-yl)methylamino)-9-propan-2-ylpurin-2-yl)amino)pentan-2-olRefChem:139872Cyclin Dependent Kinase Inhibitor 2/5/9 CYC065(2R,3S)-3-((6-(((4,6-dimethylpyridin-3-yl)methyl)amino)-9-(propan-2-yl)-9H-purin-2-yl)amino)pentan-2-olFadraciclib | CYC065Fadraciclib (CYC065)(2R,3S)-3-((6-(((4,6-dimethylpyridin-3-yl)methyl)amino)-9-isopropyl-9H-purin-2-yl)amino)pentan-2-ol1070790-89-4 (free base)
Data from PubChem (NCBI)
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