General Information of the Compound
| Compound ID |
CP0398295
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| Compound Name |
(3R)-7-(2-fluoroethoxy)-N-[(2S)-1-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-3-methylbutan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
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| Structure |
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| Formula |
C30H42FN3O3
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| Molecular Weight |
511.682
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| Canonical SMILES |
CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(OCCF)cc2CN1
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| InChI |
InChI=1S/C30H42FN3O3/c1-20(2)28(19-34-12-10-30(4,21(3)18-34)24-6-5-7-25(35)16-24)33-29(36)27-15-22-8-9-26(37-13-11-31)14-23(22)17-32-27/h5-9,14,16,20-21,27-28,32,35H,10-13,15,17-19H2,1-4H3,(H,33,36)/t21-,27+,28+,30+/m0/s1
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| InChIKey |
GLYMNHHFYBKIMM-XNCYAKTISA-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: PT01460, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor