General Information of the Compound
| Compound ID |
CP0473463
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| Compound Name |
(+/-)-4-[1-(4-Cyanophenyl)-5-cyclopentyl-4,5-dihydro-1H-pyrazol-3-yl]benzoic Acid
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| Structure |
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| Formula |
C22H21N3O2
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| Molecular Weight |
359.429
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| Canonical SMILES |
OC(=O)c1ccc(cc1)C1=NN(C(C1)C1CCCC1)c1ccc(cc1)C#N
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| InChI |
InChI=1S/C22H21N3O2/c23-14-15-5-11-19(12-6-15)25-21(17-3-1-2-4-17)13-20(24-25)16-7-9-18(10-8-16)22(26)27/h5-12,17,21H,1-4,13H2,(H,26,27)
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| InChIKey |
FYOYXJDTCSNGAY-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