General Information of the Compound
| Compound ID |
CP0434775
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| Compound Name |
(Z)-1-((6-(Benzyloxy)-5-methoxy-1H-indol-2-yl)methylene)-6-methyl-4-thioxo-4,5-dihydrofuro[3,4-c]pyridin-3(1H)-one
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| Structure |
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| Formula |
C25H20N2O4S
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| Molecular Weight |
444.512
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| Canonical SMILES |
COc1cc2cc(\C=C3/OC(=O)c4c3cc(C)[nH]c4=S)[nH]c2cc1OCc1ccccc1
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| InChI |
InChI=1S/C25H20N2O4S/c1-14-8-18-20(31-25(28)23(18)24(32)26-14)11-17-9-16-10-21(29-2)22(12-19(16)27-17)30-13-15-6-4-3-5-7-15/h3-12,27H,13H2,1-2H3,(H,26,32)/b20-11-
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| InChIKey |
KGNHYQFGNJNUCU-JAIQZWGSSA-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