General Information of the Compound
| Compound ID |
CP0184160
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| Compound Name |
methyl 3-[2,4-difluoro-5-(thiophene-2-carbonylamino)anilino]-11-oxo-6H-benzo[c][1]benzoxepine-9-carboxylate
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| Structure |
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| Formula |
C27H18F2N2O5S
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| Molecular Weight |
520.513
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| Canonical SMILES |
COC(=O)c1ccc2COc3cc(Nc4cc(NC(=O)c5cccs5)c(F)cc4F)ccc3C(=O)c2c1
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| InChI |
InChI=1S/C27H18F2N2O5S/c1-35-27(34)14-4-5-15-13-36-23-10-16(6-7-17(23)25(32)18(15)9-14)30-21-12-22(20(29)11-19(21)28)31-26(33)24-3-2-8-37-24/h2-12,30H,13H2,1H3,(H,31,33)
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| InChIKey |
ILQLHQMQOBJRMT-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