General Information of the Compound
| Compound ID |
CP0406823
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| Compound Name |
2-[4-(3'-Methoxy-biphenyl-3-ylmethyl)-piperazin-1-yl]-pyrimidine
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| Structure |
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| Formula |
C22H24N4O
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| Molecular Weight |
360.461
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| Canonical SMILES |
COc1cccc(c1)-c1cccc(CN2CCN(CC2)c2ncccn2)c1
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| InChI |
InChI=1S/C22H24N4O/c1-27-21-8-3-7-20(16-21)19-6-2-5-18(15-19)17-25-11-13-26(14-12-25)22-23-9-4-10-24-22/h2-10,15-16H,11-14,17H2,1H3
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| InChIKey |
SBXMILAGIXPXOK-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