General Information of the Compound
| Compound ID |
CP0848727
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| Compound Name |
rac-N-(4-tert-Butylbenzyl)-10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide 5-oxide
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| Structure |
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| Formula |
C27H28N2O3S
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| Molecular Weight |
460.599
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| Canonical SMILES |
CCN1C(=O)c2ccccc2[S+]([O-])c2ccc(C(=O)NCc3ccc(C(C)(C)C)cc3)cc21
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| InChI |
InChI=1S/C27H28N2O3S/c1-5-29-22-16-19(25(30)28-17-18-10-13-20(14-11-18)27(2,3)4)12-15-24(22)33(32)23-9-7-6-8-21(23)26(29)31/h6-16H,5,17H2,1-4H3,(H,28,30)
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| InChIKey |
LQLUWXFUOXBBHP-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