General Information of the Compound
| Compound ID |
CP0354660
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| Compound Name |
4-[6-[3-(difluoromethoxy)-5-fluorophenyl]-1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindol-2-yl]butanoic acid
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| Structure |
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| Formula |
C26H21F6NO5S
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| Molecular Weight |
573.511
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| Canonical SMILES |
OC(=O)CCCC1Cc2ccc(cc2N1S(=O)(=O)c1cccc(c1)C(F)(F)F)-c1cc(F)cc(OC(F)F)c1
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| InChI |
InChI=1S/C26H21F6NO5S/c27-19-9-17(11-21(14-19)38-25(28)29)15-7-8-16-10-20(4-2-6-24(34)35)33(23(16)12-15)39(36,37)22-5-1-3-18(13-22)26(30,31)32/h1,3,5,7-9,11-14,20,25H,2,4,6,10H2,(H,34,35)
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| InChIKey |
XMYKAXWWYDHXAP-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