General Information of the Compound
| Compound ID |
CP0548980
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| Compound Name |
1-Oxo-1,2-dihydro-6-thia-10b-aza-aceanthrylene-2-carboxylic acid (2,6-difluoro-phenyl)-amide
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| Structure |
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| Formula |
C21H12F2N2O2S
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| Molecular Weight |
394.402
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| Canonical SMILES |
Fc1cccc(F)c1NC(=O)C1C(=O)N2c3c1cccc3Sc1ccccc21
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| InChI |
InChI=1S/C21H12F2N2O2S/c22-12-6-4-7-13(23)18(12)24-20(26)17-11-5-3-10-16-19(11)25(21(17)27)14-8-1-2-9-15(14)28-16/h1-10,17H,(H,24,26)
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| InChIKey |
YMBFUBRDERUMNM-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