General Information of the Compound
| Compound ID |
CP0503165
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| Compound Name |
N,N-diethyl-4-[[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]-pyridin-4-ylmethyl]benzamide
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| Structure |
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| Formula |
C29H32FN3O
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| Molecular Weight |
457.593
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| Canonical SMILES |
CCN(CC)C(=O)c1ccc(cc1)C(=C1CCN(Cc2ccc(F)cc2)CC1)c1ccncc1
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| InChI |
InChI=1S/C29H32FN3O/c1-3-33(4-2)29(34)26-9-7-23(8-10-26)28(24-13-17-31-18-14-24)25-15-19-32(20-16-25)21-22-5-11-27(30)12-6-22/h5-14,17-18H,3-4,15-16,19-21H2,1-2H3
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| InChIKey |
FMQDTMLAEJYTJM-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