General Information of the Compound
| Compound ID |
CP0372874
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| Compound Name |
1-[1-(1-Methylcyclooctyl)piperidin-4-yl]-2-[3-(methylsulfonyl)phenyl]-1H-benzimidazole
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| Structure |
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| Formula |
C28H37N3O2S
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| Molecular Weight |
479.69
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| Canonical SMILES |
CC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)-c1cccc(c1)S(C)(=O)=O
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| InChI |
InChI=1S/C28H37N3O2S/c1-28(17-8-4-3-5-9-18-28)30-19-15-23(16-20-30)31-26-14-7-6-13-25(26)29-27(31)22-11-10-12-24(21-22)34(2,32)33/h6-7,10-14,21,23H,3-5,8-9,15-20H2,1-2H3
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| InChIKey |
ZJQLCFIUFKGFMA-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