General Information of the Compound
| Compound ID |
CP0551160
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| Compound Name |
2-amino-7-(3-piperidin-1-ylpropoxy)-4-[4-(3-piperidin-1-ylpropoxy)phenyl]indeno[1,2-d]pyrimidin-5-one
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| Structure |
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| Formula |
C33H41N5O3
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| Molecular Weight |
555.723
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| Canonical SMILES |
Nc1nc2-c3ccc(OCCCN4CCCCC4)cc3C(=O)c2c(n1)-c1ccc(OCCCN2CCCCC2)cc1
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| InChI |
InChI=1S/C33H41N5O3/c34-33-35-30(24-9-11-25(12-10-24)40-21-7-19-37-15-3-1-4-16-37)29-31(36-33)27-14-13-26(23-28(27)32(29)39)41-22-8-20-38-17-5-2-6-18-38/h9-14,23H,1-8,15-22H2,(H2,34,35,36)
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| InChIKey |
NCHOEXFBJYYHOD-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