General Information of the Compound
| Compound ID |
CP0452572
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| Compound Name |
4-[(3-Chlorophenylsulfonamido)methyl]-N-cycloheptyl-N-propylbenzamide
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| Structure |
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| Formula |
C24H31ClN2O3S
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| Molecular Weight |
463.043
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| Canonical SMILES |
CCCN(C1CCCCCC1)C(=O)c1ccc(CNS(=O)(=O)c2cccc(Cl)c2)cc1
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| InChI |
InChI=1S/C24H31ClN2O3S/c1-2-16-27(22-9-5-3-4-6-10-22)24(28)20-14-12-19(13-15-20)18-26-31(29,30)23-11-7-8-21(25)17-23/h7-8,11-15,17,22,26H,2-6,9-10,16,18H2,1H3
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| InChIKey |
JQJJNQAWLYPCQI-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: PT01107, 11-beta-hydroxysteroid dehydrogenase 1
Protein ID: PT01109, 11-beta-hydroxysteroid dehydrogenase 1