General Information of the Compound
| Compound ID |
CP0500728
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| Compound Name |
N-[3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]propyl]-2-thiophen-3-ylbenzenesulfonamide
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| Structure |
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| Formula |
C24H27ClN2O3S2
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| Molecular Weight |
491.078
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| Canonical SMILES |
OC1(CCN(CCCNS(=O)(=O)c2ccccc2-c2ccsc2)CC1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C24H27ClN2O3S2/c25-21-8-6-20(7-9-21)24(28)11-15-27(16-12-24)14-3-13-26-32(29,30)23-5-2-1-4-22(23)19-10-17-31-18-19/h1-2,4-10,17-18,26,28H,3,11-16H2
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| InChIKey |
KXDOWKGEEUCMND-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