General Information of the Compound
| Compound ID |
CP0512448
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| Compound Name |
1-Oxo-1,2-dihydro-6-oxa-10b-aza-aceanthrylene-2-carboxylic acid (4-fluoro-phenyl)-amide
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| Structure |
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| Formula |
C21H13FN2O3
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| Molecular Weight |
360.344
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| Canonical SMILES |
Fc1ccc(NC(=O)C2C(=O)N3c4c2cccc4Oc2ccccc32)cc1
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| InChI |
InChI=1S/C21H13FN2O3/c22-12-8-10-13(11-9-12)23-20(25)18-14-4-3-7-17-19(14)24(21(18)26)15-5-1-2-6-16(15)27-17/h1-11,18H,(H,23,25)
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| InChIKey |
SWKDJILZEIQZET-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