General Information of the Compound
| Compound ID |
CP0470977
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| Compound Name |
1-[[2-[4-benzyl-4-(dimethylamino)piperidin-1-yl]-4-(trifluoromethyl)phenyl]methyl]-3-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)urea
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| Structure |
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| Formula |
C33H39F3N4O2
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| Molecular Weight |
580.695
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| Canonical SMILES |
CN(C)C1(Cc2ccccc2)CCN(CC1)c1cc(ccc1CNC(=O)Nc1cccc2CCC(O)Cc12)C(F)(F)F
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| InChI |
InChI=1S/C33H39F3N4O2/c1-39(2)32(21-23-7-4-3-5-8-23)15-17-40(18-16-32)30-19-26(33(34,35)36)13-11-25(30)22-37-31(42)38-29-10-6-9-24-12-14-27(41)20-28(24)29/h3-11,13,19,27,41H,12,14-18,20-22H2,1-2H3,(H2,37,38,42)
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| InChIKey |
ZHNPAVPMIUGHIS-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