General Information of the Compound
| Compound ID |
CP0894373
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| Compound Name |
(S)-4-Allyl-7,8-dihydro-8-methyl-2-(1,3-dimethyl-1H-pyrazol-5-yl)-1H-imidazo[2,1-i]purin-5(4H)-one
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| Formula |
C16H19N7O
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| Molecular Weight |
325.376
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| Canonical SMILES |
C=CCN1C(=O)N2C[C@H](C)N=C2c2[nH]c(-c3cc(C)nn3C)nc21
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| InChI |
InChI=1S/C16H19N7O/c1-5-6-22-15-12(14-17-10(3)8-23(14)16(22)24)18-13(19-15)11-7-9(2)20-21(11)4/h5,7,10H,1,6,8H2,2-4H3,(H,18,19)/t10-/m0/s1
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| InChIKey |
OEFLPWOTNGXQME-JTQLQIEISA-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