General Information of the Compound
| Compound ID |
CP0454985
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| Compound Name |
(Z)-1-(Benzo[b]thiophen-3-ylmethylene)-6-methylfuro[3,4-c]pyridine-3,4(1H,5H)-dione
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| Structure |
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| Formula |
C17H11NO3S
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| Molecular Weight |
309.346
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| Canonical SMILES |
Cc1cc2\C(OC(=O)c2c(=O)[nH]1)=C\c1csc2ccccc12
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| InChI |
InChI=1S/C17H11NO3S/c1-9-6-12-13(21-17(20)15(12)16(19)18-9)7-10-8-22-14-5-3-2-4-11(10)14/h2-8H,1H3,(H,18,19)/b13-7-
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| InChIKey |
LJISRYBTQQILAH-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