General Information of the Compound
| Compound ID |
CP0088703
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| Compound Name |
6-Bromo-4-dimethylaminomethyl-5-hydroxy-1-methyl-2-phenylsulfanylmethyl-1H-indole-3-carboxylic acid ethyl ester
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| Synonyms |
Arbidol
Arbidole
MC-101
Umifenovir
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| Structure |
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| Formula |
C22H25BrN2O3S
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| Molecular Weight |
477.424
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| Canonical SMILES |
CCOC(=O)c1c(CSc2ccccc2)n(C)c2cc(Br)c(O)c(CN(C)C)c12
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| InChI |
InChI=1S/C22H25BrN2O3S/c1-5-28-22(27)20-18(13-29-14-9-7-6-8-10-14)25(4)17-11-16(23)21(26)15(19(17)20)12-24(2)3/h6-11,26H,5,12-13H2,1-4H3
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| InChIKey |
KCFYEAOKVJSACF-UHFFFAOYSA-N
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| CAS |
5674-91-9
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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
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Clinical Information about the Compound
Drug 1 ( Arbidol )
| Drug Name | Arbidol | ||
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| Company | Good Earth Medicine | ||
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| Target(s) |
Influenza Hemagglutinin (Influ HA)
Inhibitor
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