General Information of the Compound
| Compound ID |
CP0386130
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| Compound Name |
1-[1-(1-Methylcyclooctyl)piperidin-4-yl]-2-[3-(trifluoromethyl)phenyl]-1H-benzimidazole
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| Structure |
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| Formula |
C28H34F3N3
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| Molecular Weight |
469.595
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| Canonical SMILES |
CC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)-c1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C28H34F3N3/c1-27(16-7-3-2-4-8-17-27)33-18-14-23(15-19-33)34-25-13-6-5-12-24(25)32-26(34)21-10-9-11-22(20-21)28(29,30)31/h5-6,9-13,20,23H,2-4,7-8,14-19H2,1H3
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| InChIKey |
HQBSTEJSIZHCBP-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: PT01200, Delta-type opioid receptor
Protein ID: PT00983, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor
Protein ID: PT01360, Nociceptin receptor