General Information of the Compound
| Compound ID |
CP0110399
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| Compound Name |
4-Anilino-3-cyanoquinoline deriv. 4
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| Structure |
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| Formula |
C21H21N3O5
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| Molecular Weight |
395.415
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| Canonical SMILES |
COc1cc(Nc2c(cnc3cc(OC)c(OC)cc23)C#N)cc(OC)c1OC
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| InChI |
InChI=1S/C21H21N3O5/c1-25-16-8-14-15(9-17(16)26-2)23-11-12(10-22)20(14)24-13-6-18(27-3)21(29-5)19(7-13)28-4/h6-9,11H,1-5H3,(H,23,24)
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| InChIKey |
LNRFTLQUUQAWMM-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