General Information of the Compound
| Compound ID |
CP0247208
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| Compound Name |
2,4-diamino-5,6-disubstituted pyrimidine, 7
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| Structure |
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| Formula |
C16H19N5
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| Molecular Weight |
281.363
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| Canonical SMILES |
Nc1nc(N2CCNCC2)c2CCc3ccccc3-c2n1
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| InChI |
InChI=1S/C16H19N5/c17-16-19-14-12-4-2-1-3-11(12)5-6-13(14)15(20-16)21-9-7-18-8-10-21/h1-4,18H,5-10H2,(H2,17,19,20)
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| InChIKey |
RUYAYUXGAJYOPE-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: PT02519, Histamine H4 receptor
Protein ID: PT01711, Histamine H4 receptor