General Information of the Compound
| Compound ID |
CP0577668
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| Compound Name |
5-cyclopropyl-1-[3-[3-(dimethylcarbamoyl)-2-fluorophenyl]phenyl]pyrazole-4-carboxylic acid
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| Structure |
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| Formula |
C22H20FN3O3
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| Molecular Weight |
393.418
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| Canonical SMILES |
CN(C)C(=O)c1cccc(-c2cccc(c2)-n2ncc(C(O)=O)c2C2CC2)c1F
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| InChI |
InChI=1S/C22H20FN3O3/c1-25(2)21(27)17-8-4-7-16(19(17)23)14-5-3-6-15(11-14)26-20(13-9-10-13)18(12-24-26)22(28)29/h3-8,11-13H,9-10H2,1-2H3,(H,28,29)
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| InChIKey |
RDPMHKACNCOZJL-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