General Information of the Compound
| Compound ID |
CP0420764
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| Compound Name |
4-(1-Benzyl-piperidin-4-yl)-6-(4-chloro-phenyl)-pyrimidin-2-ylamine
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| Structure |
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| Formula |
C22H23ClN4
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| Molecular Weight |
378.907
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| Canonical SMILES |
Nc1nc(cc(n1)-c1ccc(Cl)cc1)C1CCN(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C22H23ClN4/c23-19-8-6-17(7-9-19)20-14-21(26-22(24)25-20)18-10-12-27(13-11-18)15-16-4-2-1-3-5-16/h1-9,14,18H,10-13,15H2,(H2,24,25,26)
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| InChIKey |
UZSMYCXKQUZNLV-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