General Information of the Compound
| Compound ID |
CP0426199
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| Compound Name |
4-[(7-chloro-1,1,3-trioxo-4H-1lambda6,2,4-benzothiadiazin-2-yl)methyl]-N-cyclooctylbenzamide
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| Structure |
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| Formula |
C23H26ClN3O4S
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| Molecular Weight |
475.998
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| Canonical SMILES |
Clc1ccc2NC(=O)N(Cc3ccc(cc3)C(=O)NC3CCCCCCC3)S(=O)(=O)c2c1
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| InChI |
InChI=1S/C23H26ClN3O4S/c24-18-12-13-20-21(14-18)32(30,31)27(23(29)26-20)15-16-8-10-17(11-9-16)22(28)25-19-6-4-2-1-3-5-7-19/h8-14,19H,1-7,15H2,(H,25,28)(H,26,29)
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| InChIKey |
LKXNVTCBUFENNZ-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