General Information of the Compound
| Compound ID |
CP0542598
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| Compound Name |
4-phenyl-7-(3-pyrrolidin-1-ylpropoxy)-5H-indeno[1,2-d]pyrimidin-2-amine
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| Structure |
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| Formula |
C24H26N4O
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| Molecular Weight |
386.499
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| Canonical SMILES |
Nc1nc-2c(Cc3cc(OCCCN4CCCC4)ccc-23)c(n1)-c1ccccc1
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| InChI |
InChI=1S/C24H26N4O/c25-24-26-22(17-7-2-1-3-8-17)21-16-18-15-19(9-10-20(18)23(21)27-24)29-14-6-13-28-11-4-5-12-28/h1-3,7-10,15H,4-6,11-14,16H2,(H2,25,26,27)
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| InChIKey |
CQKVWEYZUVUWJT-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