General Information of the Compound
| Compound ID |
CP0405141
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| Compound Name |
2-benzyl-1'-(4-tert-butylcyclohexyl)-7-fluoro-2,3-dihydro-1H-spiro[isoquinoline-4,4'-piperidine]-3-one
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| Structure |
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| Formula |
C30H39FN2O
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| Molecular Weight |
462.653
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| Canonical SMILES |
CC(C)(C)C1CCC(CC1)N1CCC2(CC1)C(=O)N(Cc1ccccc1)Cc1cc(F)ccc21
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| InChI |
InChI=1S/C30H39FN2O/c1-29(2,3)24-9-12-26(13-10-24)32-17-15-30(16-18-32)27-14-11-25(31)19-23(27)21-33(28(30)34)20-22-7-5-4-6-8-22/h4-8,11,14,19,24,26H,9-10,12-13,15-18,20-21H2,1-3H3
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| InChIKey |
ZIIJXESCDVHNCX-UHFFFAOYSA-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: PT01200, Delta-type opioid receptor
Protein ID: PT00983, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor
Protein ID: PT01360, Nociceptin receptor