General Information of the Compound
| Compound ID |
CP0473502
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| Compound Name |
3-(4-((3-(1-(4-chlorophenyl)ethyl)-5-(4-(trifluoromethoxy)phenyl)-1H-pyrazol-1-yl)methyl)benzamido)propanoic acid
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| Structure |
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| Formula |
C29H25ClF3N3O4
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| Molecular Weight |
571.983
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| Canonical SMILES |
CC(c1cc(-c2ccc(OC(F)(F)F)cc2)n(Cc2ccc(cc2)C(=O)NCCC(O)=O)n1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C29H25ClF3N3O4/c1-18(20-6-10-23(30)11-7-20)25-16-26(21-8-12-24(13-9-21)40-29(31,32)33)36(35-25)17-19-2-4-22(5-3-19)28(39)34-15-14-27(37)38/h2-13,16,18H,14-15,17H2,1H3,(H,34,39)(H,37,38)
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| InChIKey |
IUHASURCYMLNOI-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