General Information of the Compound
| Compound ID |
CP0549760
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| Compound Name |
2-amino-4-phenyl-7-(3-piperidin-1-ylpropoxy)indeno[1,2-d]pyrimidin-5-one
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| Structure |
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| Formula |
C25H26N4O2
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| Molecular Weight |
414.509
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| Canonical SMILES |
Nc1nc2-c3ccc(OCCCN4CCCCC4)cc3C(=O)c2c(n1)-c1ccccc1
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| InChI |
InChI=1S/C25H26N4O2/c26-25-27-22(17-8-3-1-4-9-17)21-23(28-25)19-11-10-18(16-20(19)24(21)30)31-15-7-14-29-12-5-2-6-13-29/h1,3-4,8-11,16H,2,5-7,12-15H2,(H2,26,27,28)
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| InChIKey |
LVKNXJNGRXMDCY-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: PT00840, Adenosine receptor A1
Protein ID: PT00862, Adenosine receptor A2a
Protein ID: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3
Protein ID: PT01194, Histamine H3 receptor