General Information of the Compound
| Compound ID |
CP0446332
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| Compound Name |
3-(1-(4-phenoxybenzyl)piperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine
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| Structure |
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| Formula |
C25H25N3O
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| Molecular Weight |
383.495
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| Canonical SMILES |
C(N1CCC(CC1)c1c[nH]c2ncccc12)c1ccc(Oc2ccccc2)cc1
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| InChI |
InChI=1S/C25H25N3O/c1-2-5-21(6-3-1)29-22-10-8-19(9-11-22)18-28-15-12-20(13-16-28)24-17-27-25-23(24)7-4-14-26-25/h1-11,14,17,20H,12-13,15-16,18H2,(H,26,27)
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| InChIKey |
XKQJTYCXTBITAV-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