General Information of the Compound
| Compound ID |
CP0531254
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| Compound Name |
(+/-)-4-[1-(4-Cyanophenyl)-5-pyridin-4-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)c1ccncc1)c1ccc(cc1)C#N
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| InChI |
InChI=1S/C22H16N4O2/c23-14-15-1-7-19(8-2-15)26-21(17-9-11-24-12-10-17)13-20(25-26)16-3-5-18(6-4-16)22(27)28/h1-12,21H,13H2,(H,27,28)
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| InChIKey |
CLVBEINCUSTXCL-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