General Information of the Compound
| Compound ID |
CP0523813
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| Compound Name |
(+/-)-4-{1-[4-Cyano-3-(trifluoromethyl)phenyl]-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl}benzoic Acid
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| Structure |
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| Formula |
C24H15F4N3O2
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| Molecular Weight |
453.395
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| Canonical SMILES |
OC(=O)c1ccc(cc1)C1=NN(C(C1)c1ccc(F)cc1)c1ccc(C#N)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C24H15F4N3O2/c25-18-8-5-15(6-9-18)22-12-21(14-1-3-16(4-2-14)23(32)33)30-31(22)19-10-7-17(13-29)20(11-19)24(26,27)28/h1-11,22H,12H2,(H,32,33)
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| InChIKey |
BMBFPKVAYHPCPO-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