General Information of the Compound
| Compound ID |
CP0124482
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| Compound Name |
2-acetamido-6-bromo-7-[3-(tert-butylamino)-2-hydroxy-propoxy]benzothiophene-3-carboxylic acid ethyl ester
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| Structure |
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| Formula |
C20H27BrN2O5S
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| Molecular Weight |
487.416
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| Canonical SMILES |
CCOC(=O)c1c(NC(C)=O)sc2c(OCC(O)CNC(C)(C)C)c(Br)ccc12
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| InChI |
InChI=1S/C20H27BrN2O5S/c1-6-27-19(26)15-13-7-8-14(21)16(17(13)29-18(15)23-11(2)24)28-10-12(25)9-22-20(3,4)5/h7-8,12,22,25H,6,9-10H2,1-5H3,(H,23,24)
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| InChIKey |
YXEMGJLWVXKTDH-UHFFFAOYSA-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
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06033, Microphthalmia-associated transcription factor