General Information of the Compound
| Compound ID |
CP0951856
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| Compound Name |
rac-10-Ethyl-N-(4-methoxybenzyl)-N-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide 5-oxide
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| Structure |
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| Formula |
C25H24N2O4S
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| Molecular Weight |
448.544
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| Canonical SMILES |
CCN1C(=O)c2ccccc2[S+]([O-])c2ccc(C(=O)N(C)Cc3ccc(OC)cc3)cc21
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| InChI |
InChI=1S/C25H24N2O4S/c1-4-27-21-15-18(24(28)26(2)16-17-9-12-19(31-3)13-10-17)11-14-23(21)32(30)22-8-6-5-7-20(22)25(27)29/h5-15H,4,16H2,1-3H3
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| InChIKey |
NZPBJYPOVSWTKH-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