General Information of the Compound
| Compound ID |
CP0443798
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| Compound Name |
1-[[2-[4-benzyl-4-(dimethylamino)piperidin-1-yl]-4-(trifluoromethyl)phenyl]methyl]-3-[3-fluoro-4-[(sulfamoylamino)methyl]phenyl]urea
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| Structure |
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| Formula |
C30H36F4N6O3S
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| Molecular Weight |
636.716
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| Canonical SMILES |
CN(C)C1(Cc2ccccc2)CCN(CC1)c1cc(ccc1CNC(=O)Nc1ccc(CNS(N)(=O)=O)c(F)c1)C(F)(F)F
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| InChI |
InChI=1S/C30H36F4N6O3S/c1-39(2)29(18-21-6-4-3-5-7-21)12-14-40(15-13-29)27-16-24(30(32,33)34)10-8-23(27)19-36-28(41)38-25-11-9-22(26(31)17-25)20-37-44(35,42)43/h3-11,16-17,37H,12-15,18-20H2,1-2H3,(H2,35,42,43)(H2,36,38,41)
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| InChIKey |
XBVSWRTYVLKLNL-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