General Information of the Compound
| Compound ID |
CP0500658
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| Compound Name |
4-(ethoxymethylene)isoquinoline-1,3(2H,4H)-dione
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| Structure |
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| Formula |
C12H11NO3
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| Molecular Weight |
217.224
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| Canonical SMILES |
CCO\C=C1\C(=O)NC(=O)c2ccccc12
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| InChI |
InChI=1S/C12H11NO3/c1-2-16-7-10-8-5-3-4-6-9(8)11(14)13-12(10)15/h3-7H,2H2,1H3,(H,13,14,15)/b10-7+
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| InChIKey |
UPFHOYKZRKIAIQ-JXMROGBWSA-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