General Information of the Compound
| Compound ID |
CP0490110
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| Compound Name |
US8772323, 86
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| Structure |
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| Formula |
C19H17N3O3
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| Molecular Weight |
335.363
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| Canonical SMILES |
COc1ccccc1-c1nc2ccc(cc2o1)C1=NNC(=O)CC1C
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| InChI |
InChI=1S/C19H17N3O3/c1-11-9-17(23)21-22-18(11)12-7-8-14-16(10-12)25-19(20-14)13-5-3-4-6-15(13)24-2/h3-8,10-11H,9H2,1-2H3,(H,21,23)
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| InChIKey |
JQHFKBYBKGTEJH-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