General Information of the Compound
| Compound ID |
CP0480483
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| Compound Name |
4-(3-Acetylphenylamino)-6,7-dimethoxyquinoline-3-carbonitrile
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| Structure |
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| Formula |
C20H17N3O3
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| Molecular Weight |
347.374
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| Canonical SMILES |
COc1cc2ncc(C#N)c(Nc3cccc(c3)C(C)=O)c2cc1OC
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| InChI |
InChI=1S/C20H17N3O3/c1-12(24)13-5-4-6-15(7-13)23-20-14(10-21)11-22-17-9-19(26-3)18(25-2)8-16(17)20/h4-9,11H,1-3H3,(H,22,23)
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| InChIKey |
IGMHTUVNOCQQMP-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