General Information of the Compound
| Compound ID |
CP0434776
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| Compound Name |
(Z)-1-((5-(Benzyloxy)-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 |
C24H18N2O3S
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| Molecular Weight |
414.486
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| Canonical SMILES |
Cc1cc2\C(OC(=O)c2c(=S)[nH]1)=C\c1cc2cc(OCc3ccccc3)ccc2[nH]1
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| InChI |
InChI=1S/C24H18N2O3S/c1-14-9-19-21(29-24(27)22(19)23(30)25-14)12-17-10-16-11-18(7-8-20(16)26-17)28-13-15-5-3-2-4-6-15/h2-12,26H,13H2,1H3,(H,25,30)/b21-12-
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| InChIKey |
PDVIPOCZKCQNHT-MTJSOVHGSA-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