General Information of the Compound
| Compound ID |
CP0405143
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| Compound Name |
1'-(4-tert-butylcyclohexyl)-7-fluoro-2-methyl-2,3-dihydro-1H-spiro[isoquinoline-4,4'-piperidine]-3-one
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| Structure |
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| Formula |
C24H35FN2O
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| Molecular Weight |
386.555
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| Canonical SMILES |
CN1Cc2cc(F)ccc2C2(CCN(CC2)C2CCC(CC2)C(C)(C)C)C1=O
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| InChI |
InChI=1S/C24H35FN2O/c1-23(2,3)18-5-8-20(9-6-18)27-13-11-24(12-14-27)21-10-7-19(25)15-17(21)16-26(4)22(24)28/h7,10,15,18,20H,5-6,8-9,11-14,16H2,1-4H3
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| InChIKey |
OTWGEMGSASXTCR-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