General Information of the Compound
| Compound ID |
CP0517438
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| Compound Name |
(Z)-1-(Benzo[b]thiophen-3-ylmethylene)-6-methyl-4-thioxo-4,5-dihydro-1H-pyrrolo[3,4-c]pyridin-3(2H)-one
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| Structure |
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| Formula |
C17H12N2OS2
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| Molecular Weight |
324.43
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| Canonical SMILES |
Cc1cc2\C(NC(=O)c2c(=S)[nH]1)=C\c1csc2ccccc12
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| InChI |
InChI=1S/C17H12N2OS2/c1-9-6-12-13(19-16(20)15(12)17(21)18-9)7-10-8-22-14-5-3-2-4-11(10)14/h2-8H,1H3,(H,18,21)(H,19,20)/b13-7-
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| InChIKey |
IFEHXVYWRTVXAH-QPEQYQDCSA-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