General Information of the Compound
| Compound ID |
CP0534733
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| Compound Name |
3-[[4-[1-[3-[2-methoxy-5-(trifluoromethoxy)phenyl]-6-[4-(trifluoromethoxy)phenyl]indazol-1-yl]ethyl]benzoyl]amino]propanoic acid
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| Structure |
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| Formula |
C34H27F6N3O6
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| Molecular Weight |
687.593
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| Canonical SMILES |
COc1ccc(OC(F)(F)F)cc1-c1nn(C(C)c2ccc(cc2)C(=O)NCCC(O)=O)c2cc(ccc12)-c1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C34H27F6N3O6/c1-19(20-3-5-22(6-4-20)32(46)41-16-15-30(44)45)43-28-17-23(21-7-10-24(11-8-21)48-33(35,36)37)9-13-26(28)31(42-43)27-18-25(49-34(38,39)40)12-14-29(27)47-2/h3-14,17-19H,15-16H2,1-2H3,(H,41,46)(H,44,45)
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| InChIKey |
NQZPNOOXCXZHDZ-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