General Information of the Compound
| Compound ID |
CP0441595
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| Compound Name |
1,7,8,9-tetrahydro-1,5-diaza-trindene-4,6-dione
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| Synonyms |
1,7,8,9-tetrahydro-1,5-diaza-trindene-4,6-dione
CHEMBL201907
SCHEMBL2086780
ZINC28569089
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| Structure |
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| Formula |
C13H10N2O2
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| Molecular Weight |
226.235
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| Canonical SMILES |
O=C1NC(=O)c2c1c1CCCc1c1[nH]ccc21
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| InChI |
InChI=1S/C13H10N2O2/c16-12-9-6-2-1-3-7(6)11-8(4-5-14-11)10(9)13(17)15-12/h4-5,14H,1-3H2,(H,15,16,17)
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| InChIKey |
NMFHMHLMLQVGMW-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
Clinical Information about the Compound