General Information of the Compound
| Compound ID |
CP0442497
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| Compound Name |
1,2-dihydro-11H-3-oxa-5,11-diaza-benzo[a]trindene-4,6-dione
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| Structure |
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| Formula |
C16H10N2O3
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| Molecular Weight |
278.267
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| Canonical SMILES |
O=C1NC(=O)c2c1c1OCCc1c1[nH]c3ccccc3c21
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| InChI |
InChI=1S/C16H10N2O3/c19-15-11-10-7-3-1-2-4-9(7)17-13(10)8-5-6-21-14(8)12(11)16(20)18-15/h1-4,17H,5-6H2,(H,18,19,20)
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| InChIKey |
XLQNZECANOLGKM-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