General Information of the Compound
| Compound ID |
CP0394860
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| Compound Name |
1-(2-acetyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl)-4-[4-(4-chlorophenyl)piperidin-1-yl]butan-1-one
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| Structure |
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| Formula |
C27H33ClN2O2
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| Molecular Weight |
453.026
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| Canonical SMILES |
CC(=O)N1CCCc2ccc(cc2C1)C(=O)CCCN1CCC(CC1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C27H33ClN2O2/c1-20(31)30-15-2-4-21-6-7-24(18-25(21)19-30)27(32)5-3-14-29-16-12-23(13-17-29)22-8-10-26(28)11-9-22/h6-11,18,23H,2-5,12-17,19H2,1H3
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| InChIKey |
YTFZTIDQFURVGW-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