General Information of the Compound
| Compound ID |
CP0686846
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| Compound Name |
(2-Chloro-5-methoxy-phenyl)-[6-methoxy-7-(4-methyl-piperazin-1-ylmethoxy)-quinazolin-4-yl]-amine
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| Structure |
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| Formula |
C22H26ClN5O3
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| Molecular Weight |
443.935
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| Canonical SMILES |
COc1ccc(Cl)c(Nc2ncnc3cc(OCN4CCN(C)CC4)c(OC)cc23)c1
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| InChI |
InChI=1S/C22H26ClN5O3/c1-27-6-8-28(9-7-27)14-31-21-12-18-16(11-20(21)30-3)22(25-13-24-18)26-19-10-15(29-2)4-5-17(19)23/h4-5,10-13H,6-9,14H2,1-3H3,(H,24,25,26)
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| InChIKey |
NYKJUWNNKIQRRC-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: PT00879, Proto-oncogene tyrosine-protein kinase Src
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000068 | A-549 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 480 nM
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