General Information of the Compound
| Compound ID |
CP0396058
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| Compound Name |
4-[4-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]phenoxy]naphthalene-1-carboxamide
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| Structure |
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| Formula |
C29H28N2O3
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| Molecular Weight |
452.554
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| Canonical SMILES |
COc1ccc(cc1)C1CCCN1Cc1ccc(Oc2ccc(C(N)=O)c3ccccc23)cc1
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| InChI |
InChI=1S/C29H28N2O3/c1-33-22-14-10-21(11-15-22)27-7-4-18-31(27)19-20-8-12-23(13-9-20)34-28-17-16-26(29(30)32)24-5-2-3-6-25(24)28/h2-3,5-6,8-17,27H,4,7,18-19H2,1H3,(H2,30,32)
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| InChIKey |
PNCDIWXIHLRKGG-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