General Information of the Compound
| Compound ID |
CP0397024
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| Compound Name |
(2R)-3-Chloro-4-({(2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylpiperazin-1-yl}sulfonyl)benzamide
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| Synonyms |
KB 74935
KB-74935
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| Structure |
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| Formula |
C19H18ClF4N3O3S
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| Molecular Weight |
479.883
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| Canonical SMILES |
C[C@@H]1CN(CCN1S(=O)(=O)c1ccc(cc1Cl)C(N)=O)c1ccc(F)cc1C(F)(F)F
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| InChI |
InChI=1S/C19H18ClF4N3O3S/c1-11-10-26(16-4-3-13(21)9-14(16)19(22,23)24)6-7-27(11)31(29,30)17-5-2-12(18(25)28)8-15(17)20/h2-5,8-9,11H,6-7,10H2,1H3,(H2,25,28)/t11-/m1/s1
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| InChIKey |
OMWNFYWEMXUREB-LLVKDONJSA-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
Clinical Information about the Compound
Drug 1 ( KB-74935 )
| Drug Name | KB-74935 | ||
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