General Information of the Compound
| Compound ID |
CP0452186
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| Compound Name |
1-(3-acetyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-4-[benzyl(methyl)amino]butan-1-one
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| Structure |
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| Formula |
C24H30N2O2
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| Molecular Weight |
378.516
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| Canonical SMILES |
CN(CCCC(=O)c1ccc2CCN(CCc2c1)C(C)=O)Cc1ccccc1
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| InChI |
InChI=1S/C24H30N2O2/c1-19(27)26-15-12-21-10-11-23(17-22(21)13-16-26)24(28)9-6-14-25(2)18-20-7-4-3-5-8-20/h3-5,7-8,10-11,17H,6,9,12-16,18H2,1-2H3
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| InChIKey |
MKEMBRBRNLXWIB-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