General Information of the Compound
| Compound ID |
CP0428439
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| Compound Name |
N-(1-adamantyl)-4-[(7-chloro-1,1,3-trioxo-4H-1lambda6,2,4-benzothiadiazin-2-yl)methyl]-N-methylbenzamide
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| Structure |
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| Formula |
C26H28ClN3O4S
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| Molecular Weight |
514.047
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| Canonical SMILES |
CN(C(=O)c1ccc(CN2C(=O)Nc3ccc(Cl)cc3S2(=O)=O)cc1)C12CC3CC(CC(C3)C1)C2
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| InChI |
InChI=1S/C26H28ClN3O4S/c1-29(26-12-17-8-18(13-26)10-19(9-17)14-26)24(31)20-4-2-16(3-5-20)15-30-25(32)28-22-7-6-21(27)11-23(22)35(30,33)34/h2-7,11,17-19H,8-10,12-15H2,1H3,(H,28,32)
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| InChIKey |
HGVQYPBSKNTPTE-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