General Information of the Compound
| Compound ID |
CP0068173
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| Compound Name |
2-Aminopyrimidine analog., 4
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| Synonyms |
2-Aminopyrimidine analog., 4
A-846714
BDBM26229
CHEMBL494678
JMC516547 Compound 2
SCHEMBL2166660
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| Structure |
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| Formula |
C16H18N6
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| Molecular Weight |
294.362
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| Canonical SMILES |
CN1CCN(CC1)c1cc(nc(N)n1)-c1ccc(cc1)C#N
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| InChI |
InChI=1S/C16H18N6/c1-21-6-8-22(9-7-21)15-10-14(19-16(18)20-15)13-4-2-12(11-17)3-5-13/h2-5,10H,6-9H2,1H3,(H2,18,19,20)
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| InChIKey |
QFKQUMBUFVKQBH-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT02519, Histamine H4 receptor
Protein ID: PT04730, Histamine H4 receptor
Protein ID: PT01711, Histamine H4 receptor
Clinical Information about the Compound