General Information of the Compound
| Compound ID |
CP0449371
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| Compound Name |
1-{1-[3-(4-Fluoro-3-methyl-phenoxy)-4-methyl-pentyl]-piperidin-4-yl}-1,3-dihydro-benzoimidazol-2-one
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| Structure |
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| Formula |
C25H32FN3O2
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| Molecular Weight |
425.548
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| Canonical SMILES |
CC(C)C(CCN1CCC(CC1)n1c2ccccc2[nH]c1=O)Oc1ccc(F)c(C)c1
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| InChI |
InChI=1S/C25H32FN3O2/c1-17(2)24(31-20-8-9-21(26)18(3)16-20)12-15-28-13-10-19(11-14-28)29-23-7-5-4-6-22(23)27-25(29)30/h4-9,16-17,19,24H,10-15H2,1-3H3,(H,27,30)
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| InChIKey |
CZHFNLNKFXGHMX-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: PT01515, Mu-type opioid receptor
Protein ID: PT01360, Nociceptin receptor