General Information of the Compound
| Compound ID |
CP0375238
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| Compound Name |
N-[(2S)-4-(4-benzylpiperidin-1-yl)-2-(3-chlorophenyl)butyl]-N-methylbenzenesulfonamide
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| Structure |
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| Formula |
C29H35ClN2O2S
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| Molecular Weight |
511.131
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| Canonical SMILES |
CN(C[C@@H](CCN1CCC(Cc2ccccc2)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C29H35ClN2O2S/c1-31(35(33,34)29-13-6-3-7-14-29)23-27(26-11-8-12-28(30)22-26)17-20-32-18-15-25(16-19-32)21-24-9-4-2-5-10-24/h2-14,22,25,27H,15-21,23H2,1H3/t27-/m1/s1
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| InChIKey |
HRLAPQOFHQTVEC-HHHXNRCGSA-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