General Information of the Compound
| Compound ID |
CP0538268
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| Compound Name |
2-chloro-N-[3-[4-(4-chlorophenyl)-4-cyanopiperidin-1-yl]propyl]benzenesulfonamide
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| Structure |
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| Formula |
C21H23Cl2N3O2S
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| Molecular Weight |
452.407
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| Canonical SMILES |
Clc1ccc(cc1)C1(CCN(CCCNS(=O)(=O)c2ccccc2Cl)CC1)C#N
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| InChI |
InChI=1S/C21H23Cl2N3O2S/c22-18-8-6-17(7-9-18)21(16-24)10-14-26(15-11-21)13-3-12-25-29(27,28)20-5-2-1-4-19(20)23/h1-2,4-9,25H,3,10-15H2
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| InChIKey |
VEMZUTIWQNTLCQ-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