General Information of the Compound
| Compound ID |
CP0457956
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| Compound Name |
4-(2-(aminomethyl)phenyl)-1-(bis(2-fluorophenyl)methyl)piperidin-4-ol
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| Structure |
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| Formula |
C25H26F2N2O
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| Molecular Weight |
408.492
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| Canonical SMILES |
NCc1ccccc1C1(O)CCN(CC1)C(c1ccccc1F)c1ccccc1F
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| InChI |
InChI=1S/C25H26F2N2O/c26-22-11-5-2-8-19(22)24(20-9-3-6-12-23(20)27)29-15-13-25(30,14-16-29)21-10-4-1-7-18(21)17-28/h1-12,24,30H,13-17,28H2
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| InChIKey |
DJMODDBWKMZAEH-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