General Information of the Compound
| Compound ID |
CP0220828
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| Compound Name |
4-N-(cyclopropylmethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine
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| Synonyms |
PF-03893787
PF-3826719
PF-3893787
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| Structure |
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| Formula |
C13H22N6
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| Molecular Weight |
262.361
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| Canonical SMILES |
CN[C@@H]1CCN(C1)c1cc(NCC2CC2)nc(N)n1
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| InChI |
InChI=1S/C13H22N6/c1-15-10-4-5-19(8-10)12-6-11(17-13(14)18-12)16-7-9-2-3-9/h6,9-10,15H,2-5,7-8H2,1H3,(H3,14,16,17,18)/t10-/m1/s1
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| InChIKey |
ISBHYKVAFKTATD-SNVBAGLBSA-N
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| CAS |
943057-12-3
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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: PT01194, Histamine H3 receptor
Protein ID: PT01711, Histamine H4 receptor
Cell-based Assay
Protein ID: PT02519, Histamine H4 receptor
Protein ID: PT04730, Histamine H4 receptor
Protein ID: PT00122, Histamine H4 receptor
Clinical Information about the Compound