General Information of the Compound
| Compound ID |
CP0858120
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| Compound Name |
2-[16-methyl-(16S)-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2(7),3,5,12,14-pentaen-17-yl]-1-ethanol
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| Structure |
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| Formula |
C19H21NO
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| Molecular Weight |
279.383
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| Canonical SMILES |
C[C@H]1[C@@H]2c3ccccc3C[C@H](c3ccccc32)N1CCO
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| InChI |
InChI=1S/C19H21NO/c1-13-19-15-7-3-2-6-14(15)12-18(20(13)10-11-21)16-8-4-5-9-17(16)19/h2-9,13,18-19,21H,10-12H2,1H3/t13-,18+,19+/m0/s1
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| InChIKey |
ITSZGDNYZJCUAB-MJXNMMHHSA-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