General Information of the Compound
| Compound ID |
CP0309960
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| Compound Name |
AZD0530 analogue 9
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| Structure |
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| Formula |
C26H31ClN4O5
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| Molecular Weight |
515.01
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| Canonical SMILES |
COc1ccc(Cl)c(Nc2ncnc3cc(OCCCN4CCOCC4)cc(OC4CCOC4)c23)c1
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| InChI |
InChI=1S/C26H31ClN4O5/c1-32-18-3-4-21(27)22(13-18)30-26-25-23(28-17-29-26)14-20(15-24(25)36-19-5-10-34-16-19)35-9-2-6-31-7-11-33-12-8-31/h3-4,13-15,17,19H,2,5-12,16H2,1H3,(H,28,29,30)
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| InChIKey |
DWMMULHPJUKYRJ-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