General Information of the Compound
| Compound ID |
CP0415760
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| Compound Name |
3-[(7-chloro-1,1,3-trioxo-4H-1lambda6,2,4-benzothiadiazin-2-yl)methyl]-N-cyclohexyl-N-cyclopropylbenzamide
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| Structure |
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| Formula |
C24H26ClN3O4S
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| Molecular Weight |
488.009
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| Canonical SMILES |
Clc1ccc2NC(=O)N(Cc3cccc(c3)C(=O)N(C3CC3)C3CCCCC3)S(=O)(=O)c2c1
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| InChI |
InChI=1S/C24H26ClN3O4S/c25-18-9-12-21-22(14-18)33(31,32)27(24(30)26-21)15-16-5-4-6-17(13-16)23(29)28(20-10-11-20)19-7-2-1-3-8-19/h4-6,9,12-14,19-20H,1-3,7-8,10-11,15H2,(H,26,30)
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| InChIKey |
PSPAXMYOEDURBU-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