Basic information
- Standard SMILES
CCc1cnn([C@H]2C[C@@H](n3cnc4c(NCC(c5ccccc5)c5ccccc5)nc(NC5CCC(N)CC5)nc43)[C@H](O)[C@@H]2O)n1.O=C(O)C(F)(F)F- InChIKey
DXGYBNUGMDCMEI-GNLVTIHESA-N- Molecular formula
- C36H43F3N10O4
- Average molar mass
- 736.8 g/mol
- Monoisotopic mass
- 736.34208438
Names & identifiers
- Preferred name
- (1R,2S,3R,5S)-3-[2-(4-Amino-cyclohexylamino)-6-(2,2-diphenyl-ethylamino)-purin-9-yl]-5-(4-ethyl-[1,2,3]triazol-2-yl)-cyclopentane-1,2-diol trifluoroacetate
- IUPAC
- (1R,2S,3R,5S)-3-[2-[(4-aminocyclohexyl)amino]-6-(2,2-diphenylethylamino)purin-9-yl]-5-(4-ethyltriazol-2-yl)cyclopentane-1,2-diol;2,2,2-trifluoroacetic acid
Names & synonyms
(1R,2S,3R,5S)-3-[2-(4-Amino-cyclohexylamino)-6-(2,2-diphenyl-ethylamino)-purin-9-yl]-5-(4-ethyl-[1,2,3]triazol-2-yl)-cyclopentane-1,2-diol trifluoroacetateSCHEMBL589070
Database identifiers
- PubChem CID
- 66735793
Properties
Computed structural properties
- Topological polar surface area
- 202 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 10
- Heavy atoms
- 53
- Formal charge
- 0
- Complexity
- 1,010
Related reactions
1 records
Compound notes
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