General Information of the Compound
| Compound ID |
CP0453196
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| Compound Name |
4-(4-Chloro-phenyl)-5-methyl-6-(1-phenethyl-piperidin-4-yl)-pyrimidin-2-ylamine
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| Structure |
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| Formula |
C24H27ClN4
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| Molecular Weight |
406.961
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| Canonical SMILES |
Cc1c(nc(N)nc1-c1ccc(Cl)cc1)C1CCN(CCc2ccccc2)CC1
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| InChI |
InChI=1S/C24H27ClN4/c1-17-22(19-7-9-21(25)10-8-19)27-24(26)28-23(17)20-12-15-29(16-13-20)14-11-18-5-3-2-4-6-18/h2-10,20H,11-16H2,1H3,(H2,26,27,28)
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| InChIKey |
LXBQQANESCMCJU-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