General Information of the Compound
| Compound ID |
CP0445405
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| Compound Name |
N-[2-(3,5-dimethylpyrazol-1-yl)-6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]acetamide
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| Structure |
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| Formula |
C17H24N6O2
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| Molecular Weight |
344.419
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| Canonical SMILES |
COC[C@@H]1CCCN1c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
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| InChI |
InChI=1S/C17H24N6O2/c1-11-8-12(2)23(21-11)17-19-15(18-13(3)24)9-16(20-17)22-7-5-6-14(22)10-25-4/h8-9,14H,5-7,10H2,1-4H3,(H,18,19,20,24)/t14-/m0/s1
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| InChIKey |
FGADYIBOWLXZLA-AWEZNQCLSA-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