General Information of the Compound
| Compound ID |
CP0540589
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| Compound Name |
methyl 3,5-dibromo-2-[[2-(4-bromophenyl)sulfanyl-2-phenylacetyl]amino]benzoate
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| Structure |
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| Formula |
C22H16Br3NO3S
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| Molecular Weight |
614.153
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| Canonical SMILES |
COC(=O)c1cc(Br)cc(Br)c1NC(=O)C(Sc1ccc(Br)cc1)c1ccccc1
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| InChI |
InChI=1S/C22H16Br3NO3S/c1-29-22(28)17-11-15(24)12-18(25)19(17)26-21(27)20(13-5-3-2-4-6-13)30-16-9-7-14(23)8-10-16/h2-12,20H,1H3,(H,26,27)
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| InChIKey |
IFHYKUGAUXMBGA-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