General Information of the Compound
| Compound ID |
CP0399307
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| Compound Name |
(+/-)-4-[1-(4-Cyano-2-fluorophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]benzoic Acid
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| Structure |
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| Formula |
C23H15F2N3O2
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| Molecular Weight |
403.388
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| Canonical SMILES |
OC(=O)c1ccc(cc1)C1=NN(C(C1)c1ccc(F)cc1)c1ccc(cc1F)C#N
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| InChI |
InChI=1S/C23H15F2N3O2/c24-18-8-6-16(7-9-18)22-12-20(15-2-4-17(5-3-15)23(29)30)27-28(22)21-10-1-14(13-26)11-19(21)25/h1-11,22H,12H2,(H,29,30)
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| InChIKey |
CZAXGYVIHGFTGE-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