General Information of the Compound
| Compound ID |
CP0397023
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| Compound Name |
(2R)-1-{[2-Chloro-4-(1H-1,2,4-triazol-1-yl)phenyl]sulfonyl}-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylpiperazine
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| Structure |
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| Formula |
C20H18ClF4N5O2S
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| Molecular Weight |
503.909
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| Canonical SMILES |
C[C@@H]1CN(CCN1S(=O)(=O)c1ccc(cc1Cl)-n1cncn1)c1ccc(F)cc1C(F)(F)F
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| InChI |
InChI=1S/C20H18ClF4N5O2S/c1-13-10-28(18-4-2-14(22)8-16(18)20(23,24)25)6-7-30(13)33(31,32)19-5-3-15(9-17(19)21)29-12-26-11-27-29/h2-5,8-9,11-13H,6-7,10H2,1H3/t13-/m1/s1
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| InChIKey |
IOHJUSQCFLRHMF-CYBMUJFWSA-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