General Information of the Compound
| Compound ID |
CP0117516
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| Compound Name |
3-chloro-N-[1-[2-hydroxy-3-(2-phenylphenoxy)propyl]piperidin-4-yl]benzenesulfonamide
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| Structure |
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| Formula |
C26H29ClN2O4S
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| Molecular Weight |
501.048
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| Canonical SMILES |
OC(COc1ccccc1-c1ccccc1)CN1CCC(CC1)NS(=O)(=O)c1cccc(Cl)c1
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| InChI |
InChI=1S/C26H29ClN2O4S/c27-21-9-6-10-24(17-21)34(31,32)28-22-13-15-29(16-14-22)18-23(30)19-33-26-12-5-4-11-25(26)20-7-2-1-3-8-20/h1-12,17,22-23,28,30H,13-16,18-19H2
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| InChIKey |
JFHVZERFQKQSFW-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