General Information of the Compound
| Compound ID |
CP0383664
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| Compound Name |
4-N-[(4-fluorophenyl)methyl]-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C16H21FN6
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| Molecular Weight |
316.384
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| Canonical SMILES |
CN1CCN(CC1)c1cc(NCc2ccc(F)cc2)nc(N)n1
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| InChI |
InChI=1S/C16H21FN6/c1-22-6-8-23(9-7-22)15-10-14(20-16(18)21-15)19-11-12-2-4-13(17)5-3-12/h2-5,10H,6-9,11H2,1H3,(H3,18,19,20,21)
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| InChIKey |
ZPAHWVAWJGJPSL-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: PT01206, Histamine H1 receptor
Protein ID: PT01357, Histamine H2 receptor
Protein ID: PT01194, Histamine H3 receptor
Protein ID: PT01711, Histamine H4 receptor