General Information of the Compound
| Compound ID |
CP0849327
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| Compound Name |
rac-N-Benzyl-N,10-diethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide 5-oxide
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| Structure |
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| Formula |
C25H24N2O3S
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| Molecular Weight |
432.545
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| Canonical SMILES |
CCN(Cc1ccccc1)C(=O)c1ccc2c(c1)N(CC)C(=O)c1ccccc1[S+]2[O-]
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| InChI |
InChI=1S/C25H24N2O3S/c1-3-26(17-18-10-6-5-7-11-18)24(28)19-14-15-23-21(16-19)27(4-2)25(29)20-12-8-9-13-22(20)31(23)30/h5-16H,3-4,17H2,1-2H3
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| InChIKey |
PQOUEBDDYMTOIK-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