General Information of the Compound
| Compound ID |
CP0108467
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| Compound Name |
6-(1,3-benzothiazol-2-yl)-4H-isoquinoline-1,3-dione
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| Structure |
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| Formula |
C16H10N2O2S
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| Molecular Weight |
294.335
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| Canonical SMILES |
O=C1Cc2cc(ccc2C(=O)N1)-c1nc2ccccc2s1
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| InChI |
InChI=1S/C16H10N2O2S/c19-14-8-10-7-9(5-6-11(10)15(20)18-14)16-17-12-3-1-2-4-13(12)21-16/h1-7H,8H2,(H,18,19,20)
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| InChIKey |
RVXITHBREQEZAH-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