General Information of the Compound
| Compound ID |
CP0428440
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| Compound Name |
4-[(7-chloro-1,1,3-trioxo-4H-1lambda6,2,4-benzothiadiazin-2-yl)methyl]-N-cycloheptylpiperidine-1-carboxamide
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| Structure |
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| Formula |
C21H29ClN4O4S
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| Molecular Weight |
469.007
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| Canonical SMILES |
Clc1ccc2NC(=O)N(CC3CCN(CC3)C(=O)NC3CCCCCC3)S(=O)(=O)c2c1
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| InChI |
InChI=1S/C21H29ClN4O4S/c22-16-7-8-18-19(13-16)31(29,30)26(21(28)24-18)14-15-9-11-25(12-10-15)20(27)23-17-5-3-1-2-4-6-17/h7-8,13,15,17H,1-6,9-12,14H2,(H,23,27)(H,24,28)
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| InChIKey |
CCJCBHHCQBOHLR-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