General Information of the Compound
| Compound ID |
CP0848728
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| Compound Name |
rac-10-Methyl-11-oxo-N-phenyl-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide 5-oxide
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| Structure |
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| Formula |
C21H16N2O3S
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| Molecular Weight |
376.437
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| Canonical SMILES |
CN1C(=O)c2ccccc2[S+]([O-])c2ccc(C(=O)Nc3ccccc3)cc21
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| InChI |
InChI=1S/C21H16N2O3S/c1-23-17-13-14(20(24)22-15-7-3-2-4-8-15)11-12-19(17)27(26)18-10-6-5-9-16(18)21(23)25/h2-13H,1H3,(H,22,24)
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| InChIKey |
WJXOCGKBTPFBGM-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