General Information of the Compound
| Compound ID |
CP0492243
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| Compound Name |
4-[4-({(2R)-4-[4-Fluoro-2-(trifluoromethyl)phenyl]-2-methylpiperazin-1-yl}sulfonyl)phenyl]morpholine
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| Structure |
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| Formula |
C22H25F4N3O3S
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| Molecular Weight |
487.519
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| Canonical SMILES |
C[C@@H]1CN(CCN1S(=O)(=O)c1ccc(cc1)N1CCOCC1)c1ccc(F)cc1C(F)(F)F
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| InChI |
InChI=1S/C22H25F4N3O3S/c1-16-15-28(21-7-2-17(23)14-20(21)22(24,25)26)8-9-29(16)33(30,31)19-5-3-18(4-6-19)27-10-12-32-13-11-27/h2-7,14,16H,8-13,15H2,1H3/t16-/m1/s1
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| InChIKey |
IVPNFBSJVQIJTD-MRXNPFEDSA-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