General Information of the Compound
| Compound ID |
CP0446048
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| Compound Name |
(3S)-3-[5-fluoro-3-(1,2-thiazol-5-yl)pyridin-2-yl]-3-methoxy-5,5-dimethyl-6-oxocyclohexene-1-carbonitrile
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| Structure |
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| Formula |
C18H16FN3O2S
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| Molecular Weight |
357.41
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| Canonical SMILES |
CO[C@]1(CC(C)(C)C(=O)C(=C1)C#N)c1ncc(F)cc1-c1ccns1
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| InChI |
InChI=1S/C18H16FN3O2S/c1-17(2)10-18(24-3,7-11(8-20)16(17)23)15-13(6-12(19)9-21-15)14-4-5-22-25-14/h4-7,9H,10H2,1-3H3/t18-/m1/s1
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| InChIKey |
AMJALMCHLCZRNN-GOSISDBHSA-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