General Information of the Compound
| Compound ID |
CP0534730
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| Compound Name |
3-[[4-[1-[3-[2-methoxy-5-(trifluoromethyl)phenyl]-7-(4-methylphenyl)indazol-1-yl]butyl]benzoyl]amino]propanoic acid
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| Structure |
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| Formula |
C36H34F3N3O4
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| Molecular Weight |
629.679
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| Canonical SMILES |
CCCC(c1ccc(cc1)C(=O)NCCC(O)=O)n1nc(-c2cc(ccc2OC)C(F)(F)F)c2cccc(-c3ccc(C)cc3)c12
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| InChI |
InChI=1S/C36H34F3N3O4/c1-4-6-30(24-13-15-25(16-14-24)35(45)40-20-19-32(43)44)42-34-27(23-11-9-22(2)10-12-23)7-5-8-28(34)33(41-42)29-21-26(36(37,38)39)17-18-31(29)46-3/h5,7-18,21,30H,4,6,19-20H2,1-3H3,(H,40,45)(H,43,44)
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| InChIKey |
BGEYEXXYPCZGEW-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