General Information of the Compound
Compound ID |
CP0041074
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Compound Name |
3-[[4-[1-[3-[2-methoxy-5-(trifluoromethyl)phenyl]-6-(4-methylphenyl)indazol-1-yl]pentyl]benzoyl]amino]propanoic acid
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Structure |
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Formula |
C37H36F3N3O4
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Molecular Weight |
643.706
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Canonical SMILES |
CCCCC(c1ccc(cc1)C(=O)NCCC(O)=O)n1nc(-c2cc(ccc2OC)C(F)(F)F)c2ccc(cc12)-c1ccc(C)cc1
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InChI |
InChI=1S/C37H36F3N3O4/c1-4-5-6-31(25-11-13-26(14-12-25)36(46)41-20-19-34(44)45)43-32-21-27(24-9-7-23(2)8-10-24)15-17-29(32)35(42-43)30-22-28(37(38,39)40)16-18-33(30)47-3/h7-18,21-22,31H,4-6,19-20H2,1-3H3,(H,41,46)(H,44,45)
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InChIKey |
WCVRCGUPWLUXJR-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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