General Information of the Compound
| Compound ID |
CP0478193
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| Compound Name |
N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-2-(2-methylpropyl)-1-oxo-3H-2-benzazepine-4-carboxamide
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| Structure |
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| Formula |
C28H35N3O3
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| Molecular Weight |
461.606
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| Canonical SMILES |
CC(C)CN1CC(=Cc2ccccc2C1=O)C(=O)Nc1ccc(CN(C)C2CCOCC2)cc1
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| InChI |
InChI=1S/C28H35N3O3/c1-20(2)17-31-19-23(16-22-6-4-5-7-26(22)28(31)33)27(32)29-24-10-8-21(9-11-24)18-30(3)25-12-14-34-15-13-25/h4-11,16,20,25H,12-15,17-19H2,1-3H3,(H,29,32)
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| InChIKey |
GFPQVBFMWGEXEV-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