General Information of the Compound
| Compound ID |
CP0453379
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| Compound Name |
2-Oxo-1,2,3,4-tetrahydro-5-thia-2a-aza-acenaphthylene-1-carboxylic acid (2,4-difluoro-phenyl)-amide
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| Structure |
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| Formula |
C17H12F2N2O2S
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| Molecular Weight |
346.358
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| Canonical SMILES |
Fc1ccc(NC(=O)C2C(=O)N3CCSc4cccc2c34)c(F)c1
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| InChI |
InChI=1S/C17H12F2N2O2S/c18-9-4-5-12(11(19)8-9)20-16(22)14-10-2-1-3-13-15(10)21(17(14)23)6-7-24-13/h1-5,8,14H,6-7H2,(H,20,22)
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| InChIKey |
BACWUBNBOUWNAR-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