General Information of the Compound
| Compound ID |
CP0452187
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| Compound Name |
1-(3-butanoyl-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 |
C29H37ClN2O2
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| Molecular Weight |
481.08
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| Canonical SMILES |
CCCC(=O)N1CCc2ccc(cc2CC1)C(=O)CCCN1CCC(CC1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C29H37ClN2O2/c1-2-4-29(34)32-19-14-23-6-7-26(21-25(23)15-20-32)28(33)5-3-16-31-17-12-24(13-18-31)22-8-10-27(30)11-9-22/h6-11,21,24H,2-5,12-20H2,1H3
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| InChIKey |
FIXYNOHWROJUQQ-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
Protein ID: PT01027, Melanin-concentrating hormone receptor 1
Protein ID: PT01388, Melanin-concentrating hormone receptor 1