General Information of the Compound
| Compound ID |
CP0372475
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| Compound Name |
(+/-)-4-[1-(4-Cyanophenyl)-5-(3-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]benzoic Acid
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| Structure |
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| Formula |
C24H19N3O3
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| Molecular Weight |
397.434
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| Canonical SMILES |
COc1cccc(c1)C1CC(=NN1c1ccc(cc1)C#N)c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C24H19N3O3/c1-30-21-4-2-3-19(13-21)23-14-22(17-7-9-18(10-8-17)24(28)29)26-27(23)20-11-5-16(15-25)6-12-20/h2-13,23H,14H2,1H3,(H,28,29)
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| InChIKey |
OLWHATYUUCMDGV-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