General Information of the Compound
| Compound ID |
CP0376327
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| Compound Name |
AZD0530 analogue 13
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| Structure |
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| Formula |
C23H26N4O4
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| Molecular Weight |
422.485
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| Canonical SMILES |
COc1cc(OC2CCN(C)CC2)c2c(Nc3cccc4OCCOc34)ncnc2c1
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| InChI |
InChI=1S/C23H26N4O4/c1-27-8-6-15(7-9-27)31-20-13-16(28-2)12-18-21(20)23(25-14-24-18)26-17-4-3-5-19-22(17)30-11-10-29-19/h3-5,12-15H,6-11H2,1-2H3,(H,24,25,26)
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| InChIKey |
XKHSUSZUHQRZFF-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