General Information of the Compound
| Compound ID |
CP0500684
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| Compound Name |
AZD0530 analogue 1
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| Structure |
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| Formula |
C21H23ClN4O2
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| Molecular Weight |
398.894
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| Canonical SMILES |
COc1ccc(Cl)c(Nc2ncnc3cccc(OC4CCN(C)CC4)c23)c1
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| InChI |
InChI=1S/C21H23ClN4O2/c1-26-10-8-14(9-11-26)28-19-5-3-4-17-20(19)21(24-13-23-17)25-18-12-15(27-2)6-7-16(18)22/h3-7,12-14H,8-11H2,1-2H3,(H,23,24,25)
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| InChIKey |
UNJMEZAIQIBRQJ-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