General Information of the Compound
| Compound ID |
CP0955854
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| Compound Name |
rac-10-Methyl-11-oxo-N-(2-(piperidin-1-yl)ethyl)-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide 5-oxide
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| Structure |
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| Formula |
C22H25N3O3S
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| Molecular Weight |
411.527
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| Canonical SMILES |
CN1C(=O)c2ccccc2[S+]([O-])c2ccc(C(=O)NCCN3CCCCC3)cc21
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| InChI |
InChI=1S/C22H25N3O3S/c1-24-18-15-16(21(26)23-11-14-25-12-5-2-6-13-25)9-10-20(18)29(28)19-8-4-3-7-17(19)22(24)27/h3-4,7-10,15H,2,5-6,11-14H2,1H3,(H,23,26)
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| InChIKey |
ZRMUKMPLFVQJES-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