General Information of the Compound
| Compound ID |
CP0469394
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| Compound Name |
[4-fluoro-4-[[(5-methylpyridin-2-yl)methylamino]methyl]piperidin-1-yl]-phenylmethanone
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| Structure |
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| Formula |
C20H24FN3O
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| Molecular Weight |
341.43
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| Canonical SMILES |
Cc1ccc(CNCC2(F)CCN(CC2)C(=O)c2ccccc2)nc1
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| InChI |
InChI=1S/C20H24FN3O/c1-16-7-8-18(23-13-16)14-22-15-20(21)9-11-24(12-10-20)19(25)17-5-3-2-4-6-17/h2-8,13,22H,9-12,14-15H2,1H3
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| InChIKey |
KYCJXNFLSINWAZ-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