General Information of the Compound
| Compound ID |
CP0212927
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| Compound Name |
methyl N-[2-[[4-(diethylcarbamoyl)phenyl]-[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]methyl]phenyl]carbamate
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| Structure |
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| Formula |
C32H36FN3O3
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| Molecular Weight |
529.656
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| Canonical SMILES |
CCN(CC)C(=O)c1ccc(cc1)C(=C1CCN(Cc2ccc(F)cc2)CC1)c1ccccc1NC(=O)OC
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| InChI |
InChI=1S/C32H36FN3O3/c1-4-36(5-2)31(37)26-14-12-24(13-15-26)30(28-8-6-7-9-29(28)34-32(38)39-3)25-18-20-35(21-19-25)22-23-10-16-27(33)17-11-23/h6-17H,4-5,18-22H2,1-3H3,(H,34,38)
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| InChIKey |
LWMAAIUDRQICHW-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