General Information of the Compound
| Compound ID |
CP0485907
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| Compound Name |
AZD0530 analogue 36
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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 |
COc1cc(OCCCN2CCCC2)cc2ncnc(Nc3c4OCOc4ccc3Cl)c12
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| InChI |
InChI=1S/C23H25ClN4O4/c1-29-19-12-15(30-10-4-9-28-7-2-3-8-28)11-17-20(19)23(26-13-25-17)27-21-16(24)5-6-18-22(21)32-14-31-18/h5-6,11-13H,2-4,7-10,14H2,1H3,(H,25,26,27)
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| InChIKey |
OEXAHBHSLGZMRJ-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