General Information of the Compound
| Compound ID |
CP0497209
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| Compound Name |
AZD0530 analogue 22
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| Structure |
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| Formula |
C17H16ClN3O3
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| Molecular Weight |
345.786
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| Canonical SMILES |
COc1ccc(Cl)c(Nc2ncnc3cc(OC)c(OC)cc23)c1
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| InChI |
InChI=1S/C17H16ClN3O3/c1-22-10-4-5-12(18)14(6-10)21-17-11-7-15(23-2)16(24-3)8-13(11)19-9-20-17/h4-9H,1-3H3,(H,19,20,21)
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| InChIKey |
RDRQLLSZGBPUMT-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