General Information of the Compound
| Compound ID |
CP0445175
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| Compound Name |
3-[[4-[1-[6-[4-(trifluoromethoxy)phenyl]-3-(2,3,5-trifluorophenyl)indazol-1-yl]ethyl]benzoyl]amino]propanoic acid
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| Structure |
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| Formula |
C32H23F6N3O4
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| Molecular Weight |
627.541
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| Canonical SMILES |
CC(c1ccc(cc1)C(=O)NCCC(O)=O)n1nc(-c2cc(F)cc(F)c2F)c2ccc(cc12)-c1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C32H23F6N3O4/c1-17(18-2-4-20(5-3-18)31(44)39-13-12-28(42)43)41-27-14-21(19-6-9-23(10-7-19)45-32(36,37)38)8-11-24(27)30(40-41)25-15-22(33)16-26(34)29(25)35/h2-11,14-17H,12-13H2,1H3,(H,39,44)(H,42,43)
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| InChIKey |
BIXZGCLRWDRIEC-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