8-[[(2R)-butan-2-yl]amino]-7-[(4-fluorophenyl)methyl]-3-methylpurine-2,6-dione
AlkaPlorer ID: AK341321
Synonym: None
IUPAC Name: 8-[[(2R)-butan-2-yl]amino]-7-[(4-fluorophenyl)methyl]-3-methylpurine-2,6-dione
Structure
SMILES: CC[C@@H](C)NC1=NC2=C(C(=O)NC(=O)N2C)N1CC1=CC=C(F)C=C1
InChI: InChI=1S/C17H20FN5O2/c1-4-10(2)19-16-20-14-13(15(24)21-17(25)22(14)3)23(16)9-11-5-7-12(18)8-6-11/h5-8,10H,4,9H2,1-3H3,(H,19,20)(H,21,24,25)/t10-/m1/s1
InChIKey: BEFKOTBCCFMNAT-SNVBAGLBSA-N
Reference
The Cephalostatins. 24. Isolation, Structure, and Cancer Cell Growth Inhibition of Cephalostatin 20
PubChem CID: 699810
Source
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Properties Information
Molecule Weight: 345.37800000000004
TPSA？: 84.71000000000001
MolLogP？: 1.8211
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 3
Activities Information
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