General Information of the Compound
| Compound ID |
CP0483436
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| Compound Name |
2,2,2-trifluoro-1-[5-[(2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylpiperazin-1-yl]sulfonylthiophen-2-yl]-1-(1H-1,2,4-triazol-5-yl)ethanol
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| Structure |
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| Formula |
C20H18F7N5O3S2
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| Molecular Weight |
573.516
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| Canonical SMILES |
C[C@@H]1CN(CCN1S(=O)(=O)c1ccc(s1)C(O)(c1nnc[nH]1)C(F)(F)F)c1ccc(F)cc1C(F)(F)F
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| InChI |
InChI=1S/C20H18F7N5O3S2/c1-11-9-31(14-3-2-12(21)8-13(14)19(22,23)24)6-7-32(11)37(34,35)16-5-4-15(36-16)18(33,20(25,26)27)17-28-10-29-30-17/h2-5,8,10-11,33H,6-7,9H2,1H3,(H,28,29,30)/t11-,18?/m1/s1
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| InChIKey |
KVSGEZFBKHGMCN-SSJGJQFISA-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