General Information of the Compound
| Compound ID |
CP0522140
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| Compound Name |
1-(4-(2,4-dichlorophenyl)-4-fluoropiperidin-1-yl)-2-(pyridin-4-ylmethoxy)ethanone
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| Structure |
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| Formula |
C19H19Cl2FN2O2
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| Molecular Weight |
397.277
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| Canonical SMILES |
FC1(CCN(CC1)C(=O)COCc1ccncc1)c1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C19H19Cl2FN2O2/c20-15-1-2-16(17(21)11-15)19(22)5-9-24(10-6-19)18(25)13-26-12-14-3-7-23-8-4-14/h1-4,7-8,11H,5-6,9-10,12-13H2
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| InChIKey |
RQSKSHYRVLDTTR-UHFFFAOYSA-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