General Information of the Compound
| Compound ID |
CP0135238
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| Compound Name |
8-[(cis, rac)-2-hydroxy-2-(4-methoxy-phenyl)-cyclohexyl]-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one
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| Structure |
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| Formula |
C26H33N3O3
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| Molecular Weight |
435.568
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| Canonical SMILES |
COc1ccc(cc1)[C@]1(O)CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1
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| InChI |
InChI=1S/C26H33N3O3/c1-32-22-12-10-20(11-13-22)26(31)14-6-5-9-23(26)28-17-15-25(16-18-28)24(30)27-19-29(25)21-7-3-2-4-8-21/h2-4,7-8,10-13,23,31H,5-6,9,14-19H2,1H3,(H,27,30)/t23-,26-/m1/s1
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| InChIKey |
WUDAAQNUDBBHTO-ZEQKJWHPSA-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: PT01515, Mu-type opioid receptor
Protein ID: PT01360, Nociceptin receptor