General Information of the Compound
| Compound ID |
CP0051681
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| Compound Name |
AZD0530 analogue 34
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| Structure |
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| Formula |
C23H25ClN4O4
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| Molecular Weight |
456.93
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| Canonical SMILES |
COc1cc2c(Nc3c4OCOc4ccc3Cl)ncnc2cc1OCC1CCN(C)CC1
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| InChI |
InChI=1S/C23H25ClN4O4/c1-28-7-5-14(6-8-28)11-30-20-10-17-15(9-19(20)29-2)23(26-12-25-17)27-21-16(24)3-4-18-22(21)32-13-31-18/h3-4,9-10,12,14H,5-8,11,13H2,1-2H3,(H,25,26,27)
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| InChIKey |
UYKYCBACTCRLLP-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 = 260 nM
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