General Information of the Compound
| Compound ID |
CP0393454
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| Compound Name |
4-[4-(4-chlorophenyl)piperidin-1-yl]-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)butan-1-one
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| Structure |
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| Formula |
C26H32ClNO
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| Molecular Weight |
410.001
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| Canonical SMILES |
Clc1ccc(cc1)C1CCN(CCCC(=O)c2ccc3CCCCCc3c2)CC1
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| InChI |
InChI=1S/C26H32ClNO/c27-25-12-10-21(11-13-25)22-14-17-28(18-15-22)16-4-7-26(29)24-9-8-20-5-2-1-3-6-23(20)19-24/h8-13,19,22H,1-7,14-18H2
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| InChIKey |
ODJZNQUAMUEYPG-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