General Information of the Compound
| Compound ID |
CP0198122
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| Compound Name |
[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone
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| Structure |
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| Formula |
C24H20F2N4O2
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| Molecular Weight |
434.446
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| Canonical SMILES |
FC1(F)CCN(C[C@@H]1Oc1ccc2ccccc2n1)C(=O)c1ccccc1-n1cccn1
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| InChI |
InChI=1S/C24H20F2N4O2/c25-24(26)12-15-29(23(31)18-7-2-4-9-20(18)30-14-5-13-27-30)16-21(24)32-22-11-10-17-6-1-3-8-19(17)28-22/h1-11,13-14,21H,12,15-16H2/t21-/m0/s1
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| InChIKey |
RFMHKIBQKHNVPL-NRFANRHFSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound