General Information of the Compound
| Compound ID |
CP0463476
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| Compound Name |
4-(3,4-dichloro-benzenesulfonyl)-1-(3-trifluoromethyl-pyridin-2-yl)-piperazin-2-one
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| Structure |
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| Formula |
C16H12Cl2F3N3O3S
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| Molecular Weight |
454.257
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| Canonical SMILES |
FC(F)(F)c1cccnc1N1CCN(CC1=O)S(=O)(=O)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C16H12Cl2F3N3O3S/c17-12-4-3-10(8-13(12)18)28(26,27)23-6-7-24(14(25)9-23)15-11(16(19,20)21)2-1-5-22-15/h1-5,8H,6-7,9H2
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| InChIKey |
YFGFYDWUHHUDEH-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: PT01107, 11-beta-hydroxysteroid dehydrogenase 1
Protein ID: PT01109, 11-beta-hydroxysteroid dehydrogenase 1