General Information of the Compound
| Compound ID |
CP0914975
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| Compound Name |
N-cyclohexylmethyl-2-hydroxy-N-{2-[3-endo-(3-methanesulfonylamino-phenyl)-8-azabicyclo[3.2.1]oct-8-yl]-ethyl}acetamide
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| Formula |
C25H39N3O4S
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| Molecular Weight |
477.671
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| Canonical SMILES |
CS(=O)(=O)Nc1cccc([C@H]2C[C@H]3CC[C@@H](C2)N3CCN(CC2CCCCC2)C(=O)CO)c1
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| InChI |
InChI=1S/C25H39N3O4S/c1-33(31,32)26-22-9-5-8-20(14-22)21-15-23-10-11-24(16-21)28(23)13-12-27(25(30)18-29)17-19-6-3-2-4-7-19/h5,8-9,14,19,21,23-24,26,29H,2-4,6-7,10-13,15-18H2,1H3/t21-,23+,24-
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| InChIKey |
LAQMGUVPVMYTDJ-VILGAWFOSA-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