General Information of the Compound
| Compound ID |
CP0331095
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| Compound Name |
US8614253, 43-70
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| Structure |
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| Formula |
C12H10N2O3
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| Molecular Weight |
230.223
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| Canonical SMILES |
COc1ccc(-c2cncnc2)c(C=O)c1O
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| InChI |
InChI=1S/C12H10N2O3/c1-17-11-3-2-9(10(6-15)12(11)16)8-4-13-7-14-5-8/h2-7,16H,1H3
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| InChIKey |
KKQZGQKLXWMDNJ-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