General Information of the Compound
| Compound ID |
CP0867471
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| Compound Name |
(+/-)-Isopropyl 2-Methyl-4-(1H-pyrazol-4-yl)-1,4-dihydrobenzo[4,5]imidazo[1,2-a]pyrimidine-3-carboxylate
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| Structure |
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| Formula |
C18H19N5O2
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| Molecular Weight |
337.383
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| Canonical SMILES |
CC1=C(C(=O)OC(C)C)C(c2cn[nH]c2)n2c(nc3ccccc32)N1
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| InChI |
InChI=1S/C18H19N5O2/c1-10(2)25-17(24)15-11(3)21-18-22-13-6-4-5-7-14(13)23(18)16(15)12-8-19-20-9-12/h4-10,16H,1-3H3,(H,19,20)(H,21,22)
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| InChIKey |
ACKPIJGOLFYSOB-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: PT01278, Adenosine receptor A2b