General Information of the Compound
| Compound ID |
CP0408517
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| Compound Name |
methyl 3-[[2-(4-bromophenyl)sulfanylacetyl]amino]-4-chloro-1-benzofuran-2-carboxylate
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| Structure |
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| Formula |
C18H13BrClNO4S
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| Molecular Weight |
454.729
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| Canonical SMILES |
COC(=O)c1oc2cccc(Cl)c2c1NC(=O)CSc1ccc(Br)cc1
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| InChI |
InChI=1S/C18H13BrClNO4S/c1-24-18(23)17-16(15-12(20)3-2-4-13(15)25-17)21-14(22)9-26-11-7-5-10(19)6-8-11/h2-8H,9H2,1H3,(H,21,22)
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| InChIKey |
NDIZKEDXYHSOFY-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