General Information of the Compound
| Compound ID |
CP0569632
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| Compound Name |
4-(3-ethynylanilino)-6,7-dimethoxyquinoline-3-carbonitrile
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| Structure |
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| Formula |
C20H15N3O2
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| Molecular Weight |
329.359
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| Canonical SMILES |
COc1cc2ncc(C#N)c(Nc3cccc(c3)C#C)c2cc1OC
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| InChI |
InChI=1S/C20H15N3O2/c1-4-13-6-5-7-15(8-13)23-20-14(11-21)12-22-17-10-19(25-3)18(24-2)9-16(17)20/h1,5-10,12H,2-3H3,(H,22,23)
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| InChIKey |
ILBOKEFXMPHJKP-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
Protein ID: PT01920, Cyclin-G-associated kinase
Protein ID: PT00922, Epidermal growth factor receptor