General Information of the Compound
| Compound ID |
CP0446696
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| Compound Name |
CHEMBL3966761
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| Formula |
C24H26N4O
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| Molecular Weight |
386.499
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| Canonical SMILES |
O[C@H]1CC[C@@H](CC1)Nc1ncc(-c2ccnc(c2)C2CC2)c(n1)-c1ccccc1
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| InChI |
InChI=1S/C24H26N4O/c29-20-10-8-19(9-11-20)27-24-26-15-21(23(28-24)17-4-2-1-3-5-17)18-12-13-25-22(14-18)16-6-7-16/h1-5,12-16,19-20,29H,6-11H2,(H,26,27,28)/t19-,20-
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| InChIKey |
VSMIUNBJXCLEKD-MXVIHJGJSA-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