General Information of the Compound
| Compound ID |
CP0445402
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| Compound Name |
N-[6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-pyridin-2-ylpyrimidin-4-yl]acetamide
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| Structure |
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| Formula |
C17H21N5O2
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| Molecular Weight |
327.388
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| Canonical SMILES |
COC[C@H]1CCCN1c1cc(NC(C)=O)nc(n1)-c1ccccn1
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| InChI |
InChI=1S/C17H21N5O2/c1-12(23)19-15-10-16(22-9-5-6-13(22)11-24-2)21-17(20-15)14-7-3-4-8-18-14/h3-4,7-8,10,13H,5-6,9,11H2,1-2H3,(H,19,20,21,23)/t13-/m1/s1
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| InChIKey |
BHXYDHWPQIADCG-CYBMUJFWSA-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