General Information of the Compound
| Compound ID |
CP0955853
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| Compound Name |
rac-10-Methyl-11-oxo-N-(pyridin-2-ylmethyl)-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide 5-oxide
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| Structure |
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| Formula |
C21H17N3O3S
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| Molecular Weight |
391.452
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| Canonical SMILES |
CN1C(=O)c2ccccc2[S+]([O-])c2ccc(C(=O)NCc3ccccn3)cc21
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| InChI |
InChI=1S/C21H17N3O3S/c1-24-17-12-14(20(25)23-13-15-6-4-5-11-22-15)9-10-19(17)28(27)18-8-3-2-7-16(18)21(24)26/h2-12H,13H2,1H3,(H,23,25)
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| InChIKey |
KFMUKZMTBUYCCZ-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