General Information of the Compound
| Compound ID |
CP0398076
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| Compound Name |
1-(4-(4-chlorophenyl)-4-fluoropiperidin-1-yl)-2-(pyridin-4-ylmethoxy)ethanone
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| Structure |
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| Formula |
C19H20ClFN2O2
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| Molecular Weight |
362.832
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| Canonical SMILES |
FC1(CCN(CC1)C(=O)COCc1ccncc1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C19H20ClFN2O2/c20-17-3-1-16(2-4-17)19(21)7-11-23(12-8-19)18(24)14-25-13-15-5-9-22-10-6-15/h1-6,9-10H,7-8,11-14H2
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| InChIKey |
XZNCMNXNIYRHSH-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