General Information of the Compound
| Compound ID |
CP0193983
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| Compound Name |
4-(3,4-Dimethoxyphenylamino)-6,7-dimethoxyquinoline-3-carbonitrile
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| Structure |
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| Formula |
C20H19N3O4
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| Molecular Weight |
365.389
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| Canonical SMILES |
COc1ccc(Nc2c(cnc3cc(OC)c(OC)cc23)C#N)cc1OC
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| InChI |
InChI=1S/C20H19N3O4/c1-24-16-6-5-13(7-17(16)25-2)23-20-12(10-21)11-22-15-9-19(27-4)18(26-3)8-14(15)20/h5-9,11H,1-4H3,(H,22,23)
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| InChIKey |
PPNMPEHEXLGGID-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