General Information of the Compound
| Compound ID |
CP0116643
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| Compound Name |
N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-2-(2-methylpropyl)-8-nitro-1-oxo-3H-2-benzazepine-4-carboxamide
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| Structure |
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| Formula |
C28H34N4O5
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| Molecular Weight |
506.603
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| Canonical SMILES |
CC(C)CN1CC(=Cc2ccc(cc2C1=O)[N+]([O-])=O)C(=O)Nc1ccc(CN(C)C2CCOCC2)cc1
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| InChI |
InChI=1S/C28H34N4O5/c1-19(2)16-31-18-22(14-21-6-9-25(32(35)36)15-26(21)28(31)34)27(33)29-23-7-4-20(5-8-23)17-30(3)24-10-12-37-13-11-24/h4-9,14-15,19,24H,10-13,16-18H2,1-3H3,(H,29,33)
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| InChIKey |
BSPWQNJFVSHAKT-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