General Information of the Compound
| Compound ID |
CP0505794
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| Compound Name |
(+/-)-4-[1-(4-Cyanophenyl)-5-pyridin-3-yl-4,5-dihydro-1H-pyrazol-3-yl]benzoic Acid
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| Structure |
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| Formula |
C22H16N4O2
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| Molecular Weight |
368.396
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| Canonical SMILES |
OC(=O)c1ccc(cc1)C1=NN(C(C1)c1cccnc1)c1ccc(cc1)C#N
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| InChI |
InChI=1S/C22H16N4O2/c23-13-15-3-9-19(10-4-15)26-21(18-2-1-11-24-14-18)12-20(25-26)16-5-7-17(8-6-16)22(27)28/h1-11,14,21H,12H2,(H,27,28)
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| InChIKey |
HOVPLVSSKTXBLD-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