General Information of the Compound
| Compound ID |
CP0535072
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| Compound Name |
1-Oxo-1,2-dihydro-6-thia-10b-aza-aceanthrylene-2-carboxylic acid (5-trifluoromethyl-[1,3,4]thiadiazol-2-yl)-amide
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| Structure |
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| Formula |
C18H9F3N4O2S2
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| Molecular Weight |
434.424
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| Canonical SMILES |
FC(F)(F)c1nnc(NC(=O)C2C(=O)N3c4c2cccc4Sc2ccccc32)s1
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| InChI |
InChI=1S/C18H9F3N4O2S2/c19-18(20,21)16-23-24-17(29-16)22-14(26)12-8-4-3-7-11-13(8)25(15(12)27)9-5-1-2-6-10(9)28-11/h1-7,12H,(H,22,24,26)
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| InChIKey |
JHORUNUUIHOIPG-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