General Information of the Compound
| Compound ID |
CP0440500
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| Compound Name |
2-((3,4-dichlorophenyl)(methyl)amino)-1-(2-(pyrrolidin-1-ylmethyl)piperidin-1-yl)ethanone
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| Structure |
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| Formula |
C19H27Cl2N3O
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| Molecular Weight |
384.351
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| Canonical SMILES |
CN(CC(=O)N1CCCCC1CN1CCCC1)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C19H27Cl2N3O/c1-22(15-7-8-17(20)18(21)12-15)14-19(25)24-11-3-2-6-16(24)13-23-9-4-5-10-23/h7-8,12,16H,2-6,9-11,13-14H2,1H3
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| InChIKey |
XHZAKZVOUFLKSH-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: PT00983, Kappa-type opioid receptor
Protein ID: PT02463, Urotensin-2 receptor