General Information of the Compound
| Compound ID |
CP0485768
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| Compound Name |
4-[4-[[2-(3-methylphenyl)pyrrolidin-1-yl]methyl]phenoxy]naphthalene-1-carboxamide
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| Structure |
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| Formula |
C29H28N2O2
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| Molecular Weight |
436.555
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| Canonical SMILES |
Cc1cccc(c1)C1CCCN1Cc1ccc(Oc2ccc(C(N)=O)c3ccccc23)cc1
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| InChI |
InChI=1S/C29H28N2O2/c1-20-6-4-7-22(18-20)27-10-5-17-31(27)19-21-11-13-23(14-12-21)33-28-16-15-26(29(30)32)24-8-2-3-9-25(24)28/h2-4,6-9,11-16,18,27H,5,10,17,19H2,1H3,(H2,30,32)
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| InChIKey |
LPEQHZBXIAGPCV-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