General Information of the Compound
| Compound ID |
CP0421241
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| Compound Name |
ethyl 5-amino-4-oxo-3-[4-(trifluoromethylsulfonyloxy)phenyl]thieno[3,4-d]pyridazine-1-carboxylate
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| Structure |
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| Formula |
C16H12F3N3O6S2
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| Molecular Weight |
463.415
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| Canonical SMILES |
CCOC(=O)c1nn(-c2ccc(OS(=O)(=O)C(F)(F)F)cc2)c(=O)c2c(N)scc12
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| InChI |
InChI=1S/C16H12F3N3O6S2/c1-2-27-15(24)12-10-7-29-13(20)11(10)14(23)22(21-12)8-3-5-9(6-4-8)28-30(25,26)16(17,18)19/h3-7H,2,20H2,1H3
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| InChIKey |
OBLPMIOAEQMPMT-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