General Information of the Compound
| Compound ID |
CP0439669
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| Compound Name |
(2R)-N-[3-Chloro-4-({4-[4-fluoro-2-(trifluoromethyl)phenyl]-piperazin-1-yl}sulfonyl)phenyl]morpholine-4-carboxamide
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| Structure |
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| Formula |
C23H25ClF4N4O4S
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| Molecular Weight |
564.989
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| Canonical SMILES |
C[C@@H]1CN(CCN1S(=O)(=O)c1ccc(NC(=O)N2CCOCC2)cc1Cl)c1ccc(F)cc1C(F)(F)F
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| InChI |
InChI=1S/C23H25ClF4N4O4S/c1-15-14-31(20-4-2-16(25)12-18(20)23(26,27)28)6-7-32(15)37(34,35)21-5-3-17(13-19(21)24)29-22(33)30-8-10-36-11-9-30/h2-5,12-13,15H,6-11,14H2,1H3,(H,29,33)/t15-/m1/s1
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| InChIKey |
VMVKIHDYEAVBLX-OAHLLOKOSA-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