General Information of the Compound
| Compound ID |
CP0513562
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| Compound Name |
(+/-)-4-[1-(4-Cyano-3-methylphenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]benzoic Acid
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| Structure |
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| Formula |
C24H18FN3O2
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| Molecular Weight |
399.425
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| Canonical SMILES |
Cc1cc(ccc1C#N)N1N=C(CC1c1ccc(F)cc1)c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C24H18FN3O2/c1-15-12-21(11-8-19(15)14-26)28-23(17-6-9-20(25)10-7-17)13-22(27-28)16-2-4-18(5-3-16)24(29)30/h2-12,23H,13H2,1H3,(H,29,30)
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| InChIKey |
YQJHZNMWSIDPHD-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