General Information of the Compound
| Compound ID |
CP0503837
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| Compound Name |
US8772323, 14
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| Structure |
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| Formula |
C20H17N3O2
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| Molecular Weight |
331.375
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| Canonical SMILES |
Cc1ccc(cc1C)-c1nc2ccc(cc2o1)C1=NNC(=O)C2CC12
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| InChI |
InChI=1S/C20H17N3O2/c1-10-3-4-13(7-11(10)2)20-21-16-6-5-12(8-17(16)25-20)18-14-9-15(14)19(24)23-22-18/h3-8,14-15H,9H2,1-2H3,(H,23,24)
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| InChIKey |
CCYBZCDHHMUDBE-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