General Information of the Compound
| Compound ID |
CP0894369
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| Compound Name |
(R,S)-4-Allyl-7,8-dihydro-2-(3-methoxyisoxazol-5-yl)-8-methyl-1Himidazo[2,1-i]purin-5(4H)-one
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| Formula |
C15H16N6O3
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| Molecular Weight |
328.332
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| Canonical SMILES |
C=CCN1C(=O)N2CC(C)N=C2c2[nH]c(-c3cc(OC)no3)nc21
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| InChI |
InChI=1S/C15H16N6O3/c1-4-5-20-14-11(13-16-8(2)7-21(13)15(20)22)17-12(18-14)9-6-10(23-3)19-24-9/h4,6,8H,1,5,7H2,2-3H3,(H,17,18)
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| InChIKey |
UTHNXMSRQGNVMB-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