General Information of the Compound
| Compound ID |
CP0475186
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| Compound Name |
1-[[2-[4-benzyl-4-(dimethylamino)piperidin-1-yl]-4-(trifluoromethyl)phenyl]methyl]-3-isoquinolin-6-ylurea
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| Structure |
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| Formula |
C32H34F3N5O
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| Molecular Weight |
561.652
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| Canonical SMILES |
CN(C)C1(Cc2ccccc2)CCN(CC1)c1cc(ccc1CNC(=O)Nc1ccc2cnccc2c1)C(F)(F)F
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| InChI |
InChI=1S/C32H34F3N5O/c1-39(2)31(20-23-6-4-3-5-7-23)13-16-40(17-14-31)29-19-27(32(33,34)35)10-8-26(29)22-37-30(41)38-28-11-9-25-21-36-15-12-24(25)18-28/h3-12,15,18-19,21H,13-14,16-17,20,22H2,1-2H3,(H2,37,38,41)
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| InChIKey |
CSPSBPUTRCWPNY-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