General Information of the Compound
| Compound ID |
CP0883408
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| Compound Name |
1-{1-[4-Methyl-3-(2-methyl-5-nitro-phenoxy)-pentyl]-piperidin-4-yl}-1,3-dihydro-benzoimidazol-2-one
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| Structure |
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| Formula |
C25H32N4O4
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| Molecular Weight |
452.555
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| Canonical SMILES |
Cc1ccc([N+](=O)[O-])cc1OC(CCN1CCC(n2c(O)nc3ccccc32)CC1)C(C)C
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| InChI |
InChI=1S/C25H32N4O4/c1-17(2)23(33-24-16-20(29(31)32)9-8-18(24)3)12-15-27-13-10-19(11-14-27)28-22-7-5-4-6-21(22)26-25(28)30/h4-9,16-17,19,23H,10-15H2,1-3H3,(H,26,30)
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| InChIKey |
JRFQTIHUIBASJA-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