General Information of the Compound
| Compound ID |
CP0461941
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| Compound Name |
1-[[1-[4-[3-(2-fluoroethoxy)propoxy]phenyl]triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine
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| Structure |
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| Formula |
C25H32FN5O3
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| Molecular Weight |
469.561
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| Canonical SMILES |
COc1ccccc1N1CCN(Cc2cn(nn2)-c2ccc(OCCCOCCF)cc2)CC1
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| InChI |
InChI=1S/C25H32FN5O3/c1-32-25-6-3-2-5-24(25)30-14-12-29(13-15-30)19-21-20-31(28-27-21)22-7-9-23(10-8-22)34-17-4-16-33-18-11-26/h2-3,5-10,20H,4,11-19H2,1H3
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| InChIKey |
GVZVJCKGJVWISH-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor