General Information of the Compound
| Compound ID |
CP0115910
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| Compound Name |
[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
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| Structure |
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| Formula |
C23H19F2N5O2
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| Molecular Weight |
435.434
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| Canonical SMILES |
FC1(F)CCN(C[C@@H]1Oc1ccc2ccccc2n1)C(=O)c1ccccc1-n1nccn1
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| InChI |
InChI=1S/C23H19F2N5O2/c24-23(25)11-14-29(22(31)17-6-2-4-8-19(17)30-26-12-13-27-30)15-20(23)32-21-10-9-16-5-1-3-7-18(16)28-21/h1-10,12-13,20H,11,14-15H2/t20-/m0/s1
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| InChIKey |
VCYRJXZNOOUBSE-FQEVSTJZSA-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