General Information of the Compound
| Compound ID |
CP0103401
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| Compound Name |
8-[(cis, rac)-2-(4-chloro-phenyl)-2-hydroxy-cyclohexyl]-1-(4-methoxy-phenyl)-1,3,8-triaza-spiro[4.5]decan-4-one
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| Structure |
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| Formula |
C26H32ClN3O3
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| Molecular Weight |
470.013
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| Canonical SMILES |
COc1ccc(cc1)N1CNC(=O)C11CCN(CC1)[C@@H]1CCCC[C@@]1(O)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C26H32ClN3O3/c1-33-22-11-9-21(10-12-22)30-18-28-24(31)25(30)14-16-29(17-15-25)23-4-2-3-13-26(23,32)19-5-7-20(27)8-6-19/h5-12,23,32H,2-4,13-18H2,1H3,(H,28,31)/t23-,26-/m1/s1
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| InChIKey |
GNWJPBZDDXTBAA-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