General Information of the Compound
| Compound ID |
CP0272339
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| Compound Name |
8-[(cis, rac)-2-(3,4-dichloro-phenyl)-2-hydroxy-cyclohexyl]-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one
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| Structure |
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| Formula |
C25H29Cl2N3O2
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| Molecular Weight |
474.432
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| Canonical SMILES |
O[C@]1(CCCC[C@H]1N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C25H29Cl2N3O2/c26-20-10-9-18(16-21(20)27)25(32)11-5-4-8-22(25)29-14-12-24(13-15-29)23(31)28-17-30(24)19-6-2-1-3-7-19/h1-3,6-7,9-10,16,22,32H,4-5,8,11-15,17H2,(H,28,31)/t22-,25-/m1/s1
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| InChIKey |
RKMMJWDZCDSCHI-RCZVLFRGSA-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