General Information of the Compound
| Compound ID |
CP0475339
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| Compound Name |
4-[4-(4-chlorophenyl)piperidin-1-yl]-1-[3-(cyclopropanecarbonyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]butan-1-one
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| Structure |
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| Formula |
C29H35ClN2O2
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| Molecular Weight |
479.064
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| Canonical SMILES |
Clc1ccc(cc1)C1CCN(CCCC(=O)c2ccc3CCN(CCc3c2)C(=O)C2CC2)CC1
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| InChI |
InChI=1S/C29H35ClN2O2/c30-27-9-7-21(8-10-27)23-11-16-31(17-12-23)15-1-2-28(33)26-6-3-22-13-18-32(19-14-25(22)20-26)29(34)24-4-5-24/h3,6-10,20,23-24H,1-2,4-5,11-19H2
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| InChIKey |
YYDVYANRNHFNIC-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