| PDB CCD ID: | BYE |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C15 H12 Cl F3 N4 O |
| InChI: | InChI=1S/C15H12ClF3N4O/c1-8(15(17,18)19)6-12-21-13-9(14(24)22-12)7-20-23(13)11-5-3-2-4-10(11)16/h2-5,7-8H,6H2,1H3,(H,21,22,24)/t8-/m0/s1 |
| InChIKey: | FFPXPXOAFQCNBS-QMMMGPOBSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 12.01 | FC(F)(F)C(C)CC1=NC(=O)c2c(N1)n(nc2)c3ccccc3Cl | | OpenEye OEToolkits 1.7.6 | CC(CC1=NC(=O)c2cnn(c2N1)c3ccccc3Cl)C(F)(F)F | CACTVS 3.385
OpenEye OEToolkits 1.7.6 | C[C@@H](CC1=NC(=O)c2cnn(c2N1)c3ccccc3Cl)C(F)(F)F | | CACTVS 3.385 | C[CH](CC1=NC(=O)c2cnn(c2N1)c3ccccc3Cl)C(F)(F)F |
|
| Name: | 1-(2-chlorophenyl)-6-[(2S)-3,3,3-trifluoro-2-methylpropyl]-1,7-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
| ChEMBL: | CHEMBL4636079 |
| ZINC: | ZINC000038330738 |
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