General Information of the Compound
| Compound ID |
CP0415790
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| Compound Name |
3-[[4-[1-[3-[2-methoxy-5-(trifluoromethyl)phenyl]-6-(3,4,5-trifluorophenyl)indazol-1-yl]pentyl]benzoyl]amino]propanoic acid
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| Structure |
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| Formula |
C36H31F6N3O4
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| Molecular Weight |
683.649
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| Canonical SMILES |
CCCCC(c1ccc(cc1)C(=O)NCCC(O)=O)n1nc(-c2cc(ccc2OC)C(F)(F)F)c2ccc(cc12)-c1cc(F)c(F)c(F)c1
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| InChI |
InChI=1S/C36H31F6N3O4/c1-3-4-5-29(20-6-8-21(9-7-20)35(48)43-15-14-32(46)47)45-30-18-22(23-16-27(37)33(39)28(38)17-23)10-12-25(30)34(44-45)26-19-24(36(40,41)42)11-13-31(26)49-2/h6-13,16-19,29H,3-5,14-15H2,1-2H3,(H,43,48)(H,46,47)
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| InChIKey |
LHVFEGQVEVPVKP-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