General Information of the Compound
| Compound ID |
CP0549759
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| Compound Name |
US8772323, 144
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| Structure |
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| Formula |
C18H16N4O2
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| Molecular Weight |
320.352
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| Canonical SMILES |
CCC1NC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccccc1
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| InChI |
InChI=1S/C18H16N4O2/c1-2-13-16(21-22-18(23)20-13)12-8-9-14-15(10-12)24-17(19-14)11-6-4-3-5-7-11/h3-10,13H,2H2,1H3,(H2,20,22,23)
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| InChIKey |
OGSZKUMDYPXDNV-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