General Information of the Compound
| Compound ID |
CP0847288
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| Compound Name |
3-endo-(8-{2-[(2-hydroxyacetyl)-(3-hydroxy-adamantan-1-ylmethyl)amino]ethyl}-8-azabicyclo[3.2.1]oct-3-yl)benzamide
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| Formula |
C29H41N3O4
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| Molecular Weight |
495.664
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| Canonical SMILES |
NC(=O)c1cccc([C@H]2C[C@H]3CC[C@@H](C2)N3CCN(CC23CC4CC(CC(O)(C4)C2)C3)C(=O)CO)c1
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| InChI |
InChI=1S/C29H41N3O4/c30-27(35)22-3-1-2-21(9-22)23-10-24-4-5-25(11-23)32(24)7-6-31(26(34)16-33)18-28-12-19-8-20(13-28)15-29(36,14-19)17-28/h1-3,9,19-20,23-25,33,36H,4-8,10-18H2,(H2,30,35)/t19?,20?,23-,24+,25-,28?,29?
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| InChIKey |
JPNAXRLDHPZZBX-PUXOEFMMSA-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: PT01188, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor