General Information of the Compound
| Compound ID |
CP0546060
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| Compound Name |
2-amino-4-phenyl-7-(3-pyrrolidin-1-ylpropoxy)indeno[1,2-d]pyrimidin-5-one
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| Structure |
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| Formula |
C24H24N4O2
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| Molecular Weight |
400.482
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| Canonical SMILES |
Nc1nc2-c3ccc(OCCCN4CCCC4)cc3C(=O)c2c(n1)-c1ccccc1
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| InChI |
InChI=1S/C24H24N4O2/c25-24-26-21(16-7-2-1-3-8-16)20-22(27-24)18-10-9-17(15-19(18)23(20)29)30-14-6-13-28-11-4-5-12-28/h1-3,7-10,15H,4-6,11-14H2,(H2,25,26,27)
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| InChIKey |
SWTVGVLYEISYND-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