General Information of the Compound
| Compound ID |
CP0556704
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| Compound Name |
US8772323, 142
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| Structure |
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| Formula |
C17H14N4O2
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| Molecular Weight |
306.325
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| Canonical SMILES |
CC1NC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccccc1
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| InChI |
InChI=1S/C17H14N4O2/c1-10-15(20-21-17(22)18-10)12-7-8-13-14(9-12)23-16(19-13)11-5-3-2-4-6-11/h2-10H,1H3,(H2,18,21,22)
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| InChIKey |
UBYDBPHQBYCVFO-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