General Information of the Compound
| Compound ID |
CP0437983
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| Compound Name |
1-[[2-[4-benzyl-4-(dimethylamino)piperidin-1-yl]-4-(trifluoromethyl)phenyl]methyl]-3-[3-fluoro-4-(methanesulfonamido)phenyl]urea
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| Structure |
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| Formula |
C30H35F4N5O3S
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| Molecular Weight |
621.701
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| Canonical SMILES |
CN(C)C1(Cc2ccccc2)CCN(CC1)c1cc(ccc1CNC(=O)Nc1ccc(NS(C)(=O)=O)c(F)c1)C(F)(F)F
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| InChI |
InChI=1S/C30H35F4N5O3S/c1-38(2)29(19-21-7-5-4-6-8-21)13-15-39(16-14-29)27-17-23(30(32,33)34)10-9-22(27)20-35-28(40)36-24-11-12-26(25(31)18-24)37-43(3,41)42/h4-12,17-18,37H,13-16,19-20H2,1-3H3,(H2,35,36,40)
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| InChIKey |
ZBKWBZVQFPCVHI-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