General Information of the Compound
| Compound ID |
CP0526118
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| Compound Name |
AZD0530 analogue 40
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| Structure |
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| Formula |
C28H36ClN5O4
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| Molecular Weight |
542.08
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| Canonical SMILES |
COc1ccc(Cl)c(Nc2ncnc3ccc(OCCCN4CCN(C)CC4)c(OC4CCOCC4)c23)c1
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| InChI |
InChI=1S/C28H36ClN5O4/c1-33-11-13-34(14-12-33)10-3-15-37-25-7-6-23-26(27(25)38-20-8-16-36-17-9-20)28(31-19-30-23)32-24-18-21(35-2)4-5-22(24)29/h4-7,18-20H,3,8-17H2,1-2H3,(H,30,31,32)
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| InChIKey |
KBCWPJVPGXBFTB-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