General Information of the Compound
| Compound ID |
CP0475139
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| Compound Name |
4-[4-(4-chlorophenyl)piperidin-1-yl]-1-(3-ethylsulfonyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)butan-1-one
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| Structure |
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| Formula |
C27H35ClN2O3S
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| Molecular Weight |
503.108
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| Canonical SMILES |
CCS(=O)(=O)N1CCc2ccc(cc2CC1)C(=O)CCCN1CCC(CC1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C27H35ClN2O3S/c1-2-34(32,33)30-18-13-22-5-6-25(20-24(22)14-19-30)27(31)4-3-15-29-16-11-23(12-17-29)21-7-9-26(28)10-8-21/h5-10,20,23H,2-4,11-19H2,1H3
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| InChIKey |
LOMPVSFLJSMAAD-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