General Information of the Compound
| Compound ID |
CP0503836
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| Compound Name |
US8772323, 9
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| Structure |
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| Formula |
C20H19N3O2
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| Molecular Weight |
333.391
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| Canonical SMILES |
CCCC1CC(=NNC1=O)c1ccc2nc(oc2c1)-c1ccccc1
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| InChI |
InChI=1S/C20H19N3O2/c1-2-6-15-11-17(22-23-19(15)24)14-9-10-16-18(12-14)25-20(21-16)13-7-4-3-5-8-13/h3-5,7-10,12,15H,2,6,11H2,1H3,(H,23,24)
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| InChIKey |
FMLDFEYRHVKRTO-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