General Information of the Compound
| Compound ID |
CP0173068
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| Compound Name |
2,4-diamino-5,6-disubstituted pyrimidine, 12
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| Structure |
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| Formula |
C17H21N5
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| Molecular Weight |
295.39
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| Canonical SMILES |
CNC1CN(C1)c1nc(N)nc-2c1CCCc1ccccc-21
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| InChI |
InChI=1S/C17H21N5/c1-19-12-9-22(10-12)16-14-8-4-6-11-5-2-3-7-13(11)15(14)20-17(18)21-16/h2-3,5,7,12,19H,4,6,8-10H2,1H3,(H2,18,20,21)
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| InChIKey |
ZXPVZPKWXXNARI-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: PT04730, Histamine H4 receptor
Protein ID: PT02519, Histamine H4 receptor