General Information of the Compound
| Compound ID |
CP0521849
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| Compound Name |
1-[5-bromo-7-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
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| Structure |
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| Formula |
C22H22BrF3N2O4S
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| Molecular Weight |
547.393
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| Canonical SMILES |
CC(=O)N1CCc2cc(Br)cc(c12)S(=O)(=O)N1CCC(O)(CC1)c1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C22H22BrF3N2O4S/c1-14(29)28-8-5-15-11-18(23)13-19(20(15)28)33(31,32)27-9-6-21(30,7-10-27)16-3-2-4-17(12-16)22(24,25)26/h2-4,11-13,30H,5-10H2,1H3
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| InChIKey |
ZUHGEPQFEQZNCJ-UHFFFAOYSA-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