General Information of the Compound
| Compound ID |
CP0906663
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| Compound Name |
N-(3-(1H-imidazol-1-yl)propyl)-2-(4-(2-(1,3-dibutyl-2,4-dioxo-1,2,3,4,7,8-hexahydropyrimido[2,1-f]purin-9(6H)-yl)ethyl)phenoxy)acetamide
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| Structure |
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| Formula |
C32H44N8O4
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| Molecular Weight |
604.756
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| Canonical SMILES |
CCCCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(OCC(=O)NCCCn3ccnc3)cc2)n(CCCC)c1=O
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| InChI |
InChI=1S/C32H44N8O4/c1-3-5-18-39-29-28(30(42)40(32(39)43)19-6-4-2)38-20-8-17-37(31(38)35-29)21-13-25-9-11-26(12-10-25)44-23-27(41)34-14-7-16-36-22-15-33-24-36/h9-12,15,22,24H,3-8,13-14,16-21,23H2,1-2H3,(H,34,41)
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| InChIKey |
RCHNJNZPJDHLJH-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: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3