General Information of the Compound
| Compound ID |
CP0853789
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| Compound Name |
1-(4-Amino-piperidin-1-yl)-4,4-bis-(4-fluoro-phenyl)-butan-1-one hydrochloride
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| Structure |
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| Formula |
C21H25ClF2N2O
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| Molecular Weight |
394.893
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| Canonical SMILES |
Cl.NC1CCN(C(=O)CCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
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| InChI |
InChI=1S/C21H24F2N2O.ClH/c22-17-5-1-15(2-6-17)20(16-3-7-18(23)8-4-16)9-10-21(26)25-13-11-19(24)12-14-25;/h1-8,19-20H,9-14,24H2;1H
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| InChIKey |
DXQWQGUEIGFRHK-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