General Information of the Compound
| Compound ID |
CP0674429
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| Compound Name |
2-amino-4-(3-(methylamino)azetidin-1-yl)pyrido[3,2-d]pyrimidine-7-carbonitrile
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| Structure |
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| Formula |
C12H13N7
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| Molecular Weight |
255.285
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| Canonical SMILES |
CNC1CN(c2nc(N)nc3cc(C#N)cnc23)C1
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| InChI |
InChI=1S/C12H13N7/c1-15-8-5-19(6-8)11-10-9(17-12(14)18-11)2-7(3-13)4-16-10/h2,4,8,15H,5-6H2,1H3,(H2,14,17,18)
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| InChIKey |
FKEZNZQUWVVTHQ-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: PT01194, Histamine H3 receptor
Protein ID: PT01711, Histamine H4 receptor