General Information of the Compound
| Compound ID |
CP0357103
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| Compound Name |
5-Amino-3,4-dihydro-4-oxo-3-phenyl-thieno[3,4-d]pyridazine-1-carboxylic acid
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| Structure |
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| Formula |
C13H9N3O3S
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| Molecular Weight |
287.3
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| Canonical SMILES |
Nc1scc2c(nn(-c3ccccc3)c(=O)c12)C(O)=O
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| InChI |
InChI=1S/C13H9N3O3S/c14-11-9-8(6-20-11)10(13(18)19)15-16(12(9)17)7-4-2-1-3-5-7/h1-6H,14H2,(H,18,19)
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| InChIKey |
XOQUOBZQPFFOSV-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