General Information of the Compound
| Compound ID |
CP0895291
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| Compound Name |
SID49824126
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| Structure |
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| Formula |
C24H22N2O5
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| Molecular Weight |
418.449
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| Canonical SMILES |
COc1cc(/C=N\NC(=O)c2ccc(-c3ccccc3)cc2)cc(OC)c1OC(C)=O
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| InChI |
InChI=1S/C24H22N2O5/c1-16(27)31-23-21(29-2)13-17(14-22(23)30-3)15-25-26-24(28)20-11-9-19(10-12-20)18-7-5-4-6-8-18/h4-15H,1-3H3,(H,26,28)/b25-15-
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| InChIKey |
OHGSTQMHTIIPBY-MYYYXRDXSA-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
Protein ID: PT06109, Geminin
Protein ID: PT06124, Paired box protein Pax-8