General Information of the Compound
| Compound ID |
CP0184542
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| Compound Name |
2-N-(2-chlorophenyl)-2-N-methyl-4,5-dihydrothieno[3,2-d][1]benzoxepine-2,8-dicarboxamide
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| Structure |
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| Formula |
C21H17ClN2O3S
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| Molecular Weight |
412.898
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| Canonical SMILES |
CN(C(=O)c1cc2CCOc3cc(ccc3-c2s1)C(N)=O)c1ccccc1Cl
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| InChI |
InChI=1S/C21H17ClN2O3S/c1-24(16-5-3-2-4-15(16)22)21(26)18-11-12-8-9-27-17-10-13(20(23)25)6-7-14(17)19(12)28-18/h2-7,10-11H,8-9H2,1H3,(H2,23,25)
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| InChIKey |
ZIAMYBTXHWHKGO-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