General Information of the Compound
| Compound ID |
CP0388187
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| Compound Name |
ethyl 3-(4-acetyloxyphenyl)-5-amino-4-oxothieno[3,4-d]pyridazine-1-carboxylate
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| Structure |
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| Formula |
C17H15N3O5S
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| Molecular Weight |
373.39
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| Canonical SMILES |
CCOC(=O)c1nn(-c2ccc(OC(C)=O)cc2)c(=O)c2c(N)scc12
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| InChI |
InChI=1S/C17H15N3O5S/c1-3-24-17(23)14-12-8-26-15(18)13(12)16(22)20(19-14)10-4-6-11(7-5-10)25-9(2)21/h4-8H,3,18H2,1-2H3
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| InChIKey |
HTSZYTQVIVQGMU-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