General Information of the Compound
Compound ID |
CP0418771
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Compound Name |
1-(3-benzoyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-4-[4-(4-chlorophenyl)piperidin-1-yl]butan-1-one
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Structure |
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Formula |
C32H35ClN2O2
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Molecular Weight |
515.097
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Canonical SMILES |
Clc1ccc(cc1)C1CCN(CCCC(=O)c2ccc3CCN(CCc3c2)C(=O)c2ccccc2)CC1
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InChI |
InChI=1S/C32H35ClN2O2/c33-30-12-10-24(11-13-30)26-14-19-34(20-15-26)18-4-7-31(36)29-9-8-25-16-21-35(22-17-28(25)23-29)32(37)27-5-2-1-3-6-27/h1-3,5-6,8-13,23,26H,4,7,14-22H2
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InChIKey |
ZIYJTXYUZSCVHR-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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
Protein ID: PT01027, Melanin-concentrating hormone receptor 1
Protein ID: PT01388, Melanin-concentrating hormone receptor 1