General Information of the Compound
| Compound ID |
CP0512680
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| Compound Name |
US9199981, F118
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| Structure |
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| Formula |
C22H20N6O3
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| Molecular Weight |
416.441
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| Canonical SMILES |
Cc1ccc(cc1NC(=O)c1cnc2ccccn12)-c1noc(n1)C1CC\C(C1)=N\O
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| InChI |
InChI=1S/C22H20N6O3/c1-13-5-6-14(20-25-22(31-27-20)15-7-8-16(10-15)26-30)11-17(13)24-21(29)18-12-23-19-4-2-3-9-28(18)19/h2-6,9,11-12,15,30H,7-8,10H2,1H3,(H,24,29)/b26-16-
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| InChIKey |
QNHNEQWNQVGZLK-QQXSKIMKSA-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