General Information of the Compound
| Compound ID |
CP0427271
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| Compound Name |
(2R)-4-[4-Fluoro-2-(trifluoromethyl)phenyl]-2-methyl-1-{[4-(1Htetrazol-5-yl)phenyl]sulfonyl}piperazine
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| Structure |
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| Formula |
C19H18F4N6O2S
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| Molecular Weight |
470.452
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| Canonical SMILES |
C[C@@H]1CN(CCN1S(=O)(=O)c1ccc(cc1)-c1nnn[nH]1)c1ccc(F)cc1C(F)(F)F
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| InChI |
InChI=1S/C19H18F4N6O2S/c1-12-11-28(17-7-4-14(20)10-16(17)19(21,22)23)8-9-29(12)32(30,31)15-5-2-13(3-6-15)18-24-26-27-25-18/h2-7,10,12H,8-9,11H2,1H3,(H,24,25,26,27)/t12-/m1/s1
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| InChIKey |
PUPPQMKIIHTAGP-GFCCVEGCSA-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