General Information of the Compound
| Compound ID |
CP0108496
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| Compound Name |
6-(furan-2-yl)-4H-isoquinoline-1,3-dione
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| Structure |
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| Formula |
C13H9NO3
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| Molecular Weight |
227.219
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| Canonical SMILES |
O=C1Cc2cc(ccc2C(=O)N1)-c1ccco1
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| InChI |
InChI=1S/C13H9NO3/c15-12-7-9-6-8(11-2-1-5-17-11)3-4-10(9)13(16)14-12/h1-6H,7H2,(H,14,15,16)
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| InChIKey |
ZNWPCXXFYCAJSS-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