General Information of the Compound
| Compound ID |
CP0386131
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| Compound Name |
2-(3-Chloro-4-fluorophenyl)-1-[1-(1-methylcyclooctyl)piperidin-4-yl]-1H-benzimidazole
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| Structure |
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| Formula |
C27H33ClFN3
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| Molecular Weight |
454.033
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| Canonical SMILES |
CC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)-c1ccc(F)c(Cl)c1
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| InChI |
InChI=1S/C27H33ClFN3/c1-27(15-7-3-2-4-8-16-27)31-17-13-21(14-18-31)32-25-10-6-5-9-24(25)30-26(32)20-11-12-23(29)22(28)19-20/h5-6,9-12,19,21H,2-4,7-8,13-18H2,1H3
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| InChIKey |
MIFPMFZKWFDLIO-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