General Information of the Compound
| Compound ID |
CP0531256
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| Compound Name |
(+/-)-4-[1-(4-Cyanophenyl)-5-(2-thienyl)-4,5-dihydro-1H-pyrazol-3-yl]benzoic Acid
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| Structure |
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| Formula |
C21H15N3O2S
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| Molecular Weight |
373.437
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| Canonical SMILES |
OC(=O)c1ccc(cc1)C1=NN(C(C1)c1cccs1)c1ccc(cc1)C#N
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| InChI |
InChI=1S/C21H15N3O2S/c22-13-14-3-9-17(10-4-14)24-19(20-2-1-11-27-20)12-18(23-24)15-5-7-16(8-6-15)21(25)26/h1-11,19H,12H2,(H,25,26)
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| InChIKey |
PUQNFNGIJBWLQW-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