General Information of the Compound
| Compound ID |
CP0860198
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| Compound Name |
4,13-dimethoxy-16,17-dimethyl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2(7),3,5,12,14-pentaene
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| Structure |
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| Formula |
C20H23NO2
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| Molecular Weight |
309.409
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| Canonical SMILES |
COc1ccc2c(c1)[C@H]1c3cc(OC)ccc3[C@H](C2)N(C)[C@@H]1C
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| InChI |
InChI=1S/C20H23NO2/c1-12-20-17-10-14(22-3)6-5-13(17)9-19(21(12)2)16-8-7-15(23-4)11-18(16)20/h5-8,10-12,19-20H,9H2,1-4H3/t12-,19+,20+/m1/s1
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| InChIKey |
CPSFNJHEQMYPIU-CFGAKRJMSA-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