General Information of the Compound
| Compound ID |
CP0852588
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| Compound Name |
(rac)-4-(4-(1H-Indol-5-yl)-1H-1,2,3-triazol-1-yl)-1-(4-(2-methoxyphenyl)piperazin-1-yl)butan-2-ol
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| Structure |
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| Formula |
C25H30N6O2
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| Molecular Weight |
446.555
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| Canonical SMILES |
COc1ccccc1N1CCN(CC(O)CCn2cc(-c3ccc4[nH]ccc4c3)nn2)CC1
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| InChI |
InChI=1S/C25H30N6O2/c1-33-25-5-3-2-4-24(25)30-14-12-29(13-15-30)17-21(32)9-11-31-18-23(27-28-31)19-6-7-22-20(16-19)8-10-26-22/h2-8,10,16,18,21,26,32H,9,11-15,17H2,1H3
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| InChIKey |
RGBNGNXRVODGQZ-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