General Information of the Compound
| Compound ID |
CP0367294
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| Compound Name |
1-(2-methoxyphenyl)-4-[3-[1-(4-thiophen-3-ylphenyl)triazol-4-yl]propyl]piperazine
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| Structure |
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| Formula |
C26H29N5OS
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| Molecular Weight |
459.619
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCc2cn(nn2)-c2ccc(cc2)-c2ccsc2)CC1
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| InChI |
InChI=1S/C26H29N5OS/c1-32-26-7-3-2-6-25(26)30-16-14-29(15-17-30)13-4-5-23-19-31(28-27-23)24-10-8-21(9-11-24)22-12-18-33-20-22/h2-3,6-12,18-20H,4-5,13-17H2,1H3
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| InChIKey |
FQRXUQIAZYDCID-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