General Information of the Compound
| Compound ID |
CP0956597
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| Compound Name |
rac-N-(4-Methoxybenzyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide 5-oxide
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| Structure |
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| Formula |
C22H18N2O4S
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| Molecular Weight |
406.463
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| Canonical SMILES |
COc1ccc(CNC(=O)c2ccc3c(c2)NC(=O)c2ccccc2[S+]3[O-])cc1
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| InChI |
InChI=1S/C22H18N2O4S/c1-28-16-9-6-14(7-10-16)13-23-21(25)15-8-11-20-18(12-15)24-22(26)17-4-2-3-5-19(17)29(20)27/h2-12H,13H2,1H3,(H,23,25)(H,24,26)
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| InChIKey |
HRPFQYYKTVOIMZ-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