General Information of the Compound
| Compound ID |
CP0446167
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| Compound Name |
3-[[4-[[3-(3,5-dichlorophenyl)-5-[8-(trifluoromethoxy)naphthalen-2-yl]pyrazol-1-yl]methyl]benzoyl]amino]propanoic acid
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| Structure |
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| Formula |
C31H22Cl2F3N3O4
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| Molecular Weight |
628.434
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| Canonical SMILES |
OC(=O)CCNC(=O)c1ccc(Cn2nc(cc2-c2ccc3cccc(OC(F)(F)F)c3c2)-c2cc(Cl)cc(Cl)c2)cc1
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| InChI |
InChI=1S/C31H22Cl2F3N3O4/c32-23-12-22(13-24(33)15-23)26-16-27(21-9-8-19-2-1-3-28(25(19)14-21)43-31(34,35)36)39(38-26)17-18-4-6-20(7-5-18)30(42)37-11-10-29(40)41/h1-9,12-16H,10-11,17H2,(H,37,42)(H,40,41)
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| InChIKey |
ZWXKNVRREHSLNN-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