General Information of the Compound
| Compound ID |
CP0505796
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| Compound Name |
(+/-)-4-[5-Benzyl-1-(4-cyanophenyl)-4,5-dihydro-1H-pyrazol-3-yl]benzoic Acid
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| Structure |
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| Formula |
C24H19N3O2
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| Molecular Weight |
381.435
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| Canonical SMILES |
OC(=O)c1ccc(cc1)C1=NN(C(Cc2ccccc2)C1)c1ccc(cc1)C#N
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| InChI |
InChI=1S/C24H19N3O2/c25-16-18-6-12-21(13-7-18)27-22(14-17-4-2-1-3-5-17)15-23(26-27)19-8-10-20(11-9-19)24(28)29/h1-13,22H,14-15H2,(H,28,29)
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| InChIKey |
UCVPVVQHKKBCJU-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