General Information of the Compound
| Compound ID |
CP0130353
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| Compound Name |
4-[4-(4-chlorophenyl)piperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
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| Structure |
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| Formula |
C22H25N3O3S3
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| Molecular Weight |
475.661
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| Canonical SMILES |
Cc1ccc(\C=N\NC(=O)[C@@H]2CC3(CN2S(=O)(=O)c2ccc(C)cc2)SCCS3)cc1
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| InChI |
InChI=1S/C21H23ClFNO/c22-19-7-3-16(4-8-19)17-11-14-24(15-12-17)13-1-2-21(25)18-5-9-20(23)10-6-18/h3-10,17H,1-2,11-15H2
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| InChIKey |
ISTLEDHRAMPSGK-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