General Information of the Compound
| Compound ID |
CP0467429
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| Compound Name |
1-(3-acetyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-4-[4-(2-methylphenyl)piperidin-1-yl]butan-1-one
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| Structure |
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| Formula |
C28H36N2O2
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| Molecular Weight |
432.608
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| Canonical SMILES |
CC(=O)N1CCc2ccc(cc2CC1)C(=O)CCCN1CCC(CC1)c1ccccc1C
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| InChI |
InChI=1S/C28H36N2O2/c1-21-6-3-4-7-27(21)24-11-16-29(17-12-24)15-5-8-28(32)26-10-9-23-13-18-30(22(2)31)19-14-25(23)20-26/h3-4,6-7,9-10,20,24H,5,8,11-19H2,1-2H3
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| InChIKey |
PGGSWVGGPRAFDO-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