General Information of the Compound
| Compound ID |
CP0551159
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| Compound Name |
7-(3-piperidin-1-ylpropoxy)-4-[4-(3-piperidin-1-ylpropoxy)phenyl]-5H-indeno[1,2-d]pyrimidin-2-amine
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| Structure |
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| Formula |
C33H43N5O2
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| Molecular Weight |
541.74
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| Canonical SMILES |
Nc1nc-2c(Cc3cc(OCCCN4CCCCC4)ccc-23)c(n1)-c1ccc(OCCCN2CCCCC2)cc1
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| InChI |
InChI=1S/C33H43N5O2/c34-33-35-31(25-9-11-27(12-10-25)39-21-7-19-37-15-3-1-4-16-37)30-24-26-23-28(13-14-29(26)32(30)36-33)40-22-8-20-38-17-5-2-6-18-38/h9-14,23H,1-8,15-22,24H2,(H2,34,35,36)
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| InChIKey |
WBLFYMQYQYGVGK-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