General Information of the Compound
| Compound ID |
CP0372876
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| Compound Name |
1-(3-{1-[1-(1-Methylcyclooctyl)piperidin-4-yl]-1H-benzimidazol-2-yl}phenyl)methanamine
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| Structure |
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| Formula |
C28H38N4
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| Molecular Weight |
430.64
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| Canonical SMILES |
CC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)-c1cccc(CN)c1
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| InChI |
InChI=1S/C28H38N4/c1-28(16-7-3-2-4-8-17-28)31-18-14-24(15-19-31)32-26-13-6-5-12-25(26)30-27(32)23-11-9-10-22(20-23)21-29/h5-6,9-13,20,24H,2-4,7-8,14-19,21,29H2,1H3
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| InChIKey |
VUWAQJRSLBBCLH-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