General Information of the Compound
| Compound ID |
CP0198951
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| Compound Name |
2,4-diamino-5,6-disubstituted pyrimidine, 9
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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 |
Nc1nc(N2CCNCC2)c2CCCc3ccccc3-c2n1
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| InChI |
InChI=1S/C17H21N5/c18-17-20-15-13-6-2-1-4-12(13)5-3-7-14(15)16(21-17)22-10-8-19-9-11-22/h1-2,4,6,19H,3,5,7-11H2,(H2,18,20,21)
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| InChIKey |
KUZRWWLVBUPCRK-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: PT04730, Histamine H4 receptor