General Information of the Compound
| Compound ID |
CP0500659
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| Compound Name |
4-(thiophen-2-ylmethylene)isoquinoline-1,3(2H,4H)-dione
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| Structure |
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| Formula |
C14H9NO2S
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| Molecular Weight |
255.298
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| Canonical SMILES |
O=C1NC(=O)c2ccccc2\C1=C/c1cccs1
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| InChI |
InChI=1S/C14H9NO2S/c16-13-11-6-2-1-5-10(11)12(14(17)15-13)8-9-4-3-7-18-9/h1-8H,(H,15,16,17)/b12-8+
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| InChIKey |
UZHYAKZJXGBDPR-XYOKQWHBSA-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