General Information of the Compound
| Compound ID |
CP0436934
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| Compound Name |
3-(4-((5-(4-(1-(4-chlorophenyl)ethyl)phenyl)-3-(4-(trifluoromethoxy)phenyl)-1H-pyrazol-1-yl)methyl)benzamido)propanoic acid
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| Structure |
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| Formula |
C35H29ClF3N3O4
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| Molecular Weight |
648.081
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| Canonical SMILES |
CC(c1ccc(Cl)cc1)c1ccc(cc1)-c1cc(nn1Cc1ccc(cc1)C(=O)NCCC(O)=O)-c1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C35H29ClF3N3O4/c1-22(25-10-14-29(36)15-11-25)24-6-8-27(9-7-24)32-20-31(26-12-16-30(17-13-26)46-35(37,38)39)41-42(32)21-23-2-4-28(5-3-23)34(45)40-19-18-33(43)44/h2-17,20,22H,18-19,21H2,1H3,(H,40,45)(H,43,44)
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| InChIKey |
DDKQHOCXJJRIOW-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