General Information of the Compound
| Compound ID |
CP0397121
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| Compound Name |
1-[5-[1-(4-fluorophenyl)triazol-4-yl]pentyl]-4-(2-methoxyphenyl)piperazine
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| Structure |
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| Formula |
C24H30FN5O
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| Molecular Weight |
423.536
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCCCc2cn(nn2)-c2ccc(F)cc2)CC1
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| InChI |
InChI=1S/C24H30FN5O/c1-31-24-9-5-4-8-23(24)29-17-15-28(16-18-29)14-6-2-3-7-21-19-30(27-26-21)22-12-10-20(25)11-13-22/h4-5,8-13,19H,2-3,6-7,14-18H2,1H3
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| InChIKey |
GTEVNWICMPGDLY-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