General Information of the Compound
| Compound ID |
CP0229853
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| Compound Name |
2,4-diamino-5,6-disubstituted pyrimidine, 14
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| Structure |
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| Formula |
C19H25N5
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| Molecular Weight |
323.444
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| Canonical SMILES |
Nc1nc2C(CCCCc2c(n1)N1CCNCC1)c1ccccc1
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| InChI |
InChI=1S/C19H25N5/c20-19-22-17-15(14-6-2-1-3-7-14)8-4-5-9-16(17)18(23-19)24-12-10-21-11-13-24/h1-3,6-7,15,21H,4-5,8-13H2,(H2,20,22,23)
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| InChIKey |
LTSQOGQDXSXTPV-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: PT01173, Histamine H3 receptor
Protein ID: PT01194, Histamine H3 receptor
Protein ID: PT04730, Histamine H4 receptor
Protein ID: PT02519, Histamine H4 receptor
Protein ID: PT01711, Histamine H4 receptor