General Information of the Compound
| Compound ID |
CP0497511
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| Compound Name |
(+/-)-4-[5-tert-Butyl-1-(4-cyanophenyl)-4,5-dihydro-1H-pyrazol-3-yl]benzoic Acid
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| Structure |
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| Formula |
C21H21N3O2
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| Molecular Weight |
347.418
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| Canonical SMILES |
CC(C)CC1CC(=NN1c1ccc(cc1)C#N)c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C21H21N3O2/c1-14(2)11-19-12-20(16-5-7-17(8-6-16)21(25)26)23-24(19)18-9-3-15(13-22)4-10-18/h3-10,14,19H,11-12H2,1-2H3,(H,25,26)
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| InChIKey |
LHKJKDCBPKTPDW-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