General Information of the Compound
| Compound ID |
CP0286522
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| Compound Name |
AZD0530 analogue 8
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| Structure |
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| Formula |
C28H35ClN4O4
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| Molecular Weight |
527.065
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| Canonical SMILES |
COc1ccc(Cl)c(Nc2ncnc3cc(OCCCN4CCOCC4)cc(OC4CCCCC4)c23)c1
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| InChI |
InChI=1S/C28H35ClN4O4/c1-34-21-8-9-23(29)24(16-21)32-28-27-25(30-19-31-28)17-22(18-26(27)37-20-6-3-2-4-7-20)36-13-5-10-33-11-14-35-15-12-33/h8-9,16-20H,2-7,10-15H2,1H3,(H,30,31,32)
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| InChIKey |
PVCJFQPSQDXYBC-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