General Information of the Compound
| Compound ID |
CP0956973
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| Compound Name |
rac-N-(benzo[d][1,3]dioxol-5-ylmethyl)-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 |
C24H20N2O5S
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| Molecular Weight |
448.5
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| Canonical SMILES |
CCN1C(=O)c2ccccc2[S+]([O-])c2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc21
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| InChI |
InChI=1S/C24H20N2O5S/c1-2-26-18-12-16(23(27)25-13-15-7-9-19-20(11-15)31-14-30-19)8-10-22(18)32(29)21-6-4-3-5-17(21)24(26)28/h3-12H,2,13-14H2,1H3,(H,25,27)
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| InChIKey |
KCLNUWOIPKUVNV-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