General Information of the Compound
| Compound ID |
CP0445173
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| Compound Name |
3-[[4-[1-[3-[2-methoxy-5-(trifluoromethyl)phenyl]-6-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridin-1-yl]butyl]benzoyl]amino]propanoic acid
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| Structure |
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| Formula |
C36H31F6N3O5
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| Molecular Weight |
699.648
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| Canonical SMILES |
CCCC(c1ccc(cc1)C(=O)NCCC(O)=O)n1cc(-c2cc(ccc2OC)C(F)(F)F)c2ccc(nc12)-c1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C36H31F6N3O5/c1-3-4-30(22-5-7-23(8-6-22)34(48)43-18-17-32(46)47)45-20-28(27-19-24(35(37,38)39)11-16-31(27)49-2)26-14-15-29(44-33(26)45)21-9-12-25(13-10-21)50-36(40,41)42/h5-16,19-20,30H,3-4,17-18H2,1-2H3,(H,43,48)(H,46,47)
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| InChIKey |
NXFHTHPJDOCXIS-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