General Information of the Compound
| Compound ID |
CP0956972
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| Compound Name |
rac-10-Ethyl-11-oxo-N-(3,4,5-trimethoxybenzyl)-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide 5-oxide
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| Structure |
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| Formula |
C26H26N2O6S
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| Molecular Weight |
494.569
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| Canonical SMILES |
CCN1C(=O)c2ccccc2[S+]([O-])c2ccc(C(=O)NCc3cc(OC)c(OC)c(OC)c3)cc21
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| InChI |
InChI=1S/C26H26N2O6S/c1-5-28-19-14-17(10-11-23(19)35(31)22-9-7-6-8-18(22)26(28)30)25(29)27-15-16-12-20(32-2)24(34-4)21(13-16)33-3/h6-14H,5,15H2,1-4H3,(H,27,29)
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| InChIKey |
CLICPRMRJONPKL-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