General Information of the Compound
| Compound ID |
CP0051870
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| Compound Name |
1-(4-fluorophenyl)-4-{[3-(pyridin-3-yl)phenyl]carbonyl}-1H-pyrazol-5-amine
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| Structure |
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| Formula |
C21H15FN4O
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| Molecular Weight |
358.376
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| Canonical SMILES |
Nc1c(cnn1-c1ccc(F)cc1)C(=O)c1cccc(c1)-c1cccnc1
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| InChI |
InChI=1S/C21H15FN4O/c22-17-6-8-18(9-7-17)26-21(23)19(13-25-26)20(27)15-4-1-3-14(11-15)16-5-2-10-24-12-16/h1-13H,23H2
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| InChIKey |
MDPZNDLAGKIDFD-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