General Information of the Compound
| Compound ID |
CP0400935
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| Compound Name |
[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone
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| Structure |
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| Formula |
C25H20F2N4O2
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| Molecular Weight |
446.457
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| Canonical SMILES |
FC1(F)CCN(C[C@@H]1Oc1ccc2ccccc2n1)C(=O)c1ccccc1-c1ncccn1
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| InChI |
InChI=1S/C25H20F2N4O2/c26-25(27)12-15-31(16-21(25)33-22-11-10-17-6-1-4-9-20(17)30-22)24(32)19-8-3-2-7-18(19)23-28-13-5-14-29-23/h1-11,13-14,21H,12,15-16H2/t21-/m0/s1
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| InChIKey |
BTVFVGILMFBROD-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