General Information of the Compound
| Compound ID |
CP0409703
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| Compound Name |
4-[4-(2-Phenyl-3H-imidazol-4-ylmethyl)-piperazin-1-yl]-pyrimidine
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| Structure |
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| Formula |
C18H20N6
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| Molecular Weight |
320.4
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| Canonical SMILES |
C(N1CCN(CC1)c1ccncn1)c1cnc([nH]1)-c1ccccc1
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| InChI |
InChI=1S/C18H20N6/c1-2-4-15(5-3-1)18-20-12-16(22-18)13-23-8-10-24(11-9-23)17-6-7-19-14-21-17/h1-7,12,14H,8-11,13H2,(H,20,22)
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| InChIKey |
FLGOCJKEWNMJFU-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