General Information of the Compound
| Compound ID |
CP0571484
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| Compound Name |
US8772323, 63
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| Structure |
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| Formula |
C23H20N4O4
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| Molecular Weight |
416.437
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| Canonical SMILES |
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OCc2cnco2)cc1
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| InChI |
InChI=1S/C23H20N4O4/c1-2-14-10-21(28)26-27-22(14)16-5-8-19-20(9-16)31-23(25-19)15-3-6-17(7-4-15)29-12-18-11-24-13-30-18/h3-9,11,13-14H,2,10,12H2,1H3,(H,26,28)
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| InChIKey |
QPSYBNBEPPZVTG-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