General Information of the Compound
| Compound ID |
CP0188363
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| Compound Name |
5-Amino-3,4-dihydro-3-(4-methoxyphenyl)-4-oxo-thieno[3,4-d]pyridazine-1-carboxylic acid
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| Structure |
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| Formula |
C14H11N3O4S
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| Molecular Weight |
317.326
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| Canonical SMILES |
COc1ccc(cc1)-n1nc(C(O)=O)c2csc(N)c2c1=O
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| InChI |
InChI=1S/C14H11N3O4S/c1-21-8-4-2-7(3-5-8)17-13(18)10-9(6-22-12(10)15)11(16-17)14(19)20/h2-6H,15H2,1H3,(H,19,20)
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| InChIKey |
URXQISGQPOMOOS-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