General Information of the Compound
| Compound ID |
CP0422302
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| Compound Name |
AZD0530 analogue 12
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| Structure |
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| Formula |
C22H24N4O4
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| Molecular Weight |
408.458
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| Canonical SMILES |
COc1cc(OC2CCN(C)CC2)c2c(Nc3cccc4OCOc34)ncnc2c1
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| InChI |
InChI=1S/C22H24N4O4/c1-26-8-6-14(7-9-26)30-19-11-15(27-2)10-17-20(19)22(24-12-23-17)25-16-4-3-5-18-21(16)29-13-28-18/h3-5,10-12,14H,6-9,13H2,1-2H3,(H,23,24,25)
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| InChIKey |
MKPLAMMDMLMBRI-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