General Information of the Compound
| Compound ID |
CP0443218
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| Compound Name |
1-[4-(2-methoxyphenyl)piperazin-1-yl]-4-[4-(2-methoxyphenyl)triazol-1-yl]butan-2-ol
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| Structure |
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| Formula |
C24H31N5O3
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| Molecular Weight |
437.544
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| Canonical SMILES |
COc1ccccc1N1CCN(CC(O)CCn2cc(nn2)-c2ccccc2OC)CC1
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| InChI |
InChI=1S/C24H31N5O3/c1-31-23-9-5-3-7-20(23)21-18-29(26-25-21)12-11-19(30)17-27-13-15-28(16-14-27)22-8-4-6-10-24(22)32-2/h3-10,18-19,30H,11-17H2,1-2H3
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| InChIKey |
LEVQMJILJZDTPU-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