General Information of the Compound
| Compound ID |
CP0428064
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| Compound Name |
3-(1-(naphthalen-1-ylmethyl)piperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine
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| Structure |
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| Formula |
C23H23N3
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| Molecular Weight |
341.458
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| Canonical SMILES |
C(N1CCC(CC1)c1c[nH]c2ncccc12)c1cccc2ccccc12
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| InChI |
InChI=1S/C23H23N3/c1-2-8-20-17(5-1)6-3-7-19(20)16-26-13-10-18(11-14-26)22-15-25-23-21(22)9-4-12-24-23/h1-9,12,15,18H,10-11,13-14,16H2,(H,24,25)
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| InChIKey |
OIAARQYDFVPWDI-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