General Information of the Compound
| Compound ID |
CP0575413
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| Compound Name |
3-[5-fluoro-3-(1-methylpyrazol-4-yl)pyridin-2-yl]-3-methoxy-5,5-dimethyl-6-oxocyclohexene-1-carbonitrile
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| Structure |
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| Formula |
C19H19FN4O2
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| Molecular Weight |
354.385
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| Canonical SMILES |
COC1(CC(C)(C)C(=O)C(=C1)C#N)c1ncc(F)cc1-c1cnn(C)c1
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| InChI |
InChI=1S/C19H19FN4O2/c1-18(2)11-19(26-4,6-12(7-21)17(18)25)16-15(5-14(20)9-22-16)13-8-23-24(3)10-13/h5-6,8-10H,11H2,1-4H3
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| InChIKey |
UFTRYWQICMMERY-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