General Information of the Compound
| Compound ID |
CP0171842
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| Compound Name |
4-N-benzyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C16H22N6
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| Molecular Weight |
298.394
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| Canonical SMILES |
CN1CCN(CC1)c1cc(NCc2ccccc2)nc(N)n1
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| InChI |
InChI=1S/C16H22N6/c1-21-7-9-22(10-8-21)15-11-14(19-16(17)20-15)18-12-13-5-3-2-4-6-13/h2-6,11H,7-10,12H2,1H3,(H3,17,18,19,20)
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| InChIKey |
GXRZHULPUGZJMQ-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: PT01711, Histamine H4 receptor
Protein ID: PT02519, Histamine H4 receptor