General Information of the Compound
| Compound ID |
CP0431275
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| Compound Name |
1'-cyclooctylmethyl-1-methyl-5-trifluoromethylspiro[2,3-dihydro-1H-indole-3,4'-(hexahydropyridine)]-2-one
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| Structure |
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| Formula |
C23H31F3N2O
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| Molecular Weight |
408.508
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| Canonical SMILES |
CN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2cc(ccc12)C(F)(F)F
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| InChI |
InChI=1S/C23H31F3N2O/c1-27-20-10-9-18(23(24,25)26)15-19(20)22(21(27)29)11-13-28(14-12-22)16-17-7-5-3-2-4-6-8-17/h9-10,15,17H,2-8,11-14,16H2,1H3
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| InChIKey |
ITHMFVZZJOFTDA-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: PT01515, Mu-type opioid receptor
Protein ID: PT01360, Nociceptin receptor