General Information of the Compound
| Compound ID |
CP0513970
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| Compound Name |
N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-1-benzothiophene-2-carboxamide
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| Structure |
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| Formula |
C25H27ClN2O2S
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| Molecular Weight |
455.023
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| Canonical SMILES |
CC(C)[C@@H](NC(=O)c1cc2ccccc2s1)C(=O)N1CCC(CC1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C25H27ClN2O2S/c1-16(2)23(27-24(29)22-15-19-5-3-4-6-21(19)31-22)25(30)28-13-11-18(12-14-28)17-7-9-20(26)10-8-17/h3-10,15-16,18,23H,11-14H2,1-2H3,(H,27,29)/t23-/m1/s1
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| InChIKey |
ZMEYVXBVFFMHLD-HSZRJFAPSA-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