General Information of the Compound
| Compound ID |
CP0486551
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| Compound Name |
3-[[4-[1-[3-[2-fluoro-5-(trifluoromethyl)phenyl]-6-[4-(trifluoromethoxy)phenyl]indazol-1-yl]ethyl]benzoyl]amino]propanoic acid
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| Structure |
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| Formula |
C33H24F7N3O4
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| Molecular Weight |
659.558
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| Canonical SMILES |
CC(c1ccc(cc1)C(=O)NCCC(O)=O)n1nc(-c2cc(ccc2F)C(F)(F)F)c2ccc(cc12)-c1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C33H24F7N3O4/c1-18(19-2-4-21(5-3-19)31(46)41-15-14-29(44)45)43-28-16-22(20-6-10-24(11-7-20)47-33(38,39)40)8-12-25(28)30(42-43)26-17-23(32(35,36)37)9-13-27(26)34/h2-13,16-18H,14-15H2,1H3,(H,41,46)(H,44,45)
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| InChIKey |
JLZHAYQRDAKXFK-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