General Information of the Compound
| Compound ID |
CP0470972
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| Compound Name |
1-[[2-[4-benzyl-4-(dimethylamino)piperidin-1-yl]-4-(trifluoromethyl)phenyl]methyl]-3-[3-fluoro-4-(hydroxymethyl)phenyl]urea
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| Structure |
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| Formula |
C30H34F4N4O2
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| Molecular Weight |
558.62
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| Canonical SMILES |
CN(C)C1(Cc2ccccc2)CCN(CC1)c1cc(ccc1CNC(=O)Nc1ccc(CO)c(F)c1)C(F)(F)F
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| InChI |
InChI=1S/C30H34F4N4O2/c1-37(2)29(18-21-6-4-3-5-7-21)12-14-38(15-13-29)27-16-24(30(32,33)34)10-8-22(27)19-35-28(40)36-25-11-9-23(20-39)26(31)17-25/h3-11,16-17,39H,12-15,18-20H2,1-2H3,(H2,35,36,40)
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| InChIKey |
FUYXJJVZAWSEPB-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: PT01515, Mu-type opioid receptor
Protein ID: PT02183, Transient receptor potential cation channel subfamily V member 1