General Information of the Compound
| Compound ID |
CP0387989
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| Compound Name |
1-(3-acetyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-4-[4-(4-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)c1ccc(C)cc1
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| InChI |
InChI=1S/C28H36N2O2/c1-21-5-7-23(8-6-21)25-11-16-29(17-12-25)15-3-4-28(32)27-10-9-24-13-18-30(22(2)31)19-14-26(24)20-27/h5-10,20,25H,3-4,11-19H2,1-2H3
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| InChIKey |
VSFOCYAOLFNAMU-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