General Information of the Compound
| Compound ID |
CP0344966
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| Compound Name |
AZD0530 analogue 4
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| Structure |
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| Formula |
C23H27ClN4O4
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| Molecular Weight |
458.946
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| Canonical SMILES |
COc1ccc(Cl)c(Nc2ncnc3cc(OC)cc(OCCCN4CCOCC4)c23)c1
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| InChI |
InChI=1S/C23H27ClN4O4/c1-29-16-4-5-18(24)19(12-16)27-23-22-20(25-15-26-23)13-17(30-2)14-21(22)32-9-3-6-28-7-10-31-11-8-28/h4-5,12-15H,3,6-11H2,1-2H3,(H,25,26,27)
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| InChIKey |
NGTKKGNCMAPUNI-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