General Information of the Compound
| Compound ID |
CP0428445
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| Compound Name |
4-[(7-chloro-1,1,3-trioxo-4H-1lambda6,2,4-benzothiadiazin-2-yl)methyl]-N-cycloheptyl-N-methylpiperidine-1-carboxamide
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| Structure |
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| Formula |
C22H31ClN4O4S
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| Molecular Weight |
483.034
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| Canonical SMILES |
CN(C1CCCCCC1)C(=O)N1CCC(CN2C(=O)Nc3ccc(Cl)cc3S2(=O)=O)CC1
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| InChI |
InChI=1S/C22H31ClN4O4S/c1-25(18-6-4-2-3-5-7-18)22(29)26-12-10-16(11-13-26)15-27-21(28)24-19-9-8-17(23)14-20(19)32(27,30)31/h8-9,14,16,18H,2-7,10-13,15H2,1H3,(H,24,28)
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| InChIKey |
DFUDUOPNHOXDIK-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: PT01108, 11-beta-hydroxysteroid dehydrogenase type 2
Protein ID: PT01111, 11-beta-hydroxysteroid dehydrogenase type 2