General Information of the Compound
| Compound ID |
CP0455309
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| Compound Name |
4-[(3-Chlorophenylsulfonamido)methyl]-N-cycloheptylbenzamide
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| Structure |
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| Formula |
C21H25ClN2O3S
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| Molecular Weight |
420.962
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| Canonical SMILES |
Clc1cccc(c1)S(=O)(=O)NCc1ccc(cc1)C(=O)NC1CCCCCC1
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| InChI |
InChI=1S/C21H25ClN2O3S/c22-18-6-5-9-20(14-18)28(26,27)23-15-16-10-12-17(13-11-16)21(25)24-19-7-3-1-2-4-8-19/h5-6,9-14,19,23H,1-4,7-8,15H2,(H,24,25)
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| InChIKey |
LVWCYWKEBPDQNM-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
Protein ID: PT01109, 11-beta-hydroxysteroid dehydrogenase 1
Protein ID: PT01107, 11-beta-hydroxysteroid dehydrogenase 1
Protein ID: PT01111, 11-beta-hydroxysteroid dehydrogenase type 2
Protein ID: PT01108, 11-beta-hydroxysteroid dehydrogenase type 2