General Information of the Compound
| Compound ID |
CP0500213
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| Compound Name |
US8772323, 143
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| Structure |
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| Formula |
C16H12N4O2
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| Molecular Weight |
292.298
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| Canonical SMILES |
O=C1NCC(=NN1)c1ccc2nc(oc2c1)-c1ccccc1
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| InChI |
InChI=1S/C16H12N4O2/c21-16-17-9-13(19-20-16)11-6-7-12-14(8-11)22-15(18-12)10-4-2-1-3-5-10/h1-8H,9H2,(H2,17,20,21)
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| InChIKey |
QUFDXOLSBZYCBU-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