General Information of the Compound
| Compound ID |
CP0212339
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| Compound Name |
4-(3-{[5-amino-1-(4-fluorophenyl)-1H-pyrazol-4-yl]carbonyl}phenyl)-2-methylbutan-2-ol
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| Structure |
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| Formula |
C21H22FN3O2
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| Molecular Weight |
367.424
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| Canonical SMILES |
CC(C)(O)CCc1cccc(c1)C(=O)c1cnn(c1N)-c1ccc(F)cc1
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| InChI |
InChI=1S/C21H22FN3O2/c1-21(2,27)11-10-14-4-3-5-15(12-14)19(26)18-13-24-25(20(18)23)17-8-6-16(22)7-9-17/h3-9,12-13,27H,10-11,23H2,1-2H3
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| InChIKey |
VYZNEDVUQBPGQA-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