General Information of the Compound
| Compound ID |
CP0428443
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| Compound Name |
N-(1-adamantyl)-4-[(7-chloro-1,1,3-trioxo-4H-1lambda6,2,4-benzothiadiazin-2-yl)methyl]benzamide
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| Structure |
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| Formula |
C25H26ClN3O4S
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| Molecular Weight |
500.02
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| Canonical SMILES |
Clc1ccc2NC(=O)N(Cc3ccc(cc3)C(=O)NC34CC5CC(CC(C5)C3)C4)S(=O)(=O)c2c1
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| InChI |
InChI=1S/C25H26ClN3O4S/c26-20-5-6-21-22(10-20)34(32,33)29(24(31)27-21)14-15-1-3-19(4-2-15)23(30)28-25-11-16-7-17(12-25)9-18(8-16)13-25/h1-6,10,16-18H,7-9,11-14H2,(H,27,31)(H,28,30)
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| InChIKey |
ODPDOXLPOXFDCP-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