General Information of the Compound
| Compound ID |
CP0428067
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| Compound Name |
3-(1-(cyclohexylmethyl)piperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine
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| Structure |
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| Formula |
C19H27N3
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| Molecular Weight |
297.446
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| Canonical SMILES |
C(C1CCCCC1)N1CCC(CC1)c1c[nH]c2ncccc12
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| InChI |
InChI=1S/C19H27N3/c1-2-5-15(6-3-1)14-22-11-8-16(9-12-22)18-13-21-19-17(18)7-4-10-20-19/h4,7,10,13,15-16H,1-3,5-6,8-9,11-12,14H2,(H,20,21)
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| InChIKey |
WZIFGARJUREPNL-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