General Information of the Compound
| Compound ID |
CP0492245
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| Compound Name |
(2R)-1-({2-Chloro-4-[(3S)-3-methylpiperazin-1-yl]phenyl}sulfonyl)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylpiperazine
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| Structure |
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| Formula |
C23H27ClF4N4O2S
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| Molecular Weight |
535.007
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| Canonical SMILES |
C[C@H]1CN(CCN1)c1ccc(c(Cl)c1)S(=O)(=O)N1CCN(C[C@H]1C)c1ccc(F)cc1C(F)(F)F
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| InChI |
InChI=1S/C23H27ClF4N4O2S/c1-15-13-30(8-7-29-15)18-4-6-22(20(24)12-18)35(33,34)32-10-9-31(14-16(32)2)21-5-3-17(25)11-19(21)23(26,27)28/h3-6,11-12,15-16,29H,7-10,13-14H2,1-2H3/t15-,16+/m0/s1
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| InChIKey |
DRCFLTJGTPNADQ-JKSUJKDBSA-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