General Information of the Compound
| Compound ID |
CP0374544
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| Compound Name |
N-[6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide
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| Structure |
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| Formula |
C15H19N5O2S
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| Molecular Weight |
333.417
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| Canonical SMILES |
COC[C@@H]1CCCN1c1cc(NC(C)=O)nc(n1)-c1nccs1
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| InChI |
InChI=1S/C15H19N5O2S/c1-10(21)17-12-8-13(20-6-3-4-11(20)9-22-2)19-14(18-12)15-16-5-7-23-15/h5,7-8,11H,3-4,6,9H2,1-2H3,(H,17,18,19,21)/t11-/m0/s1
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| InChIKey |
YUBORDSDHOFYPC-NSHDSACASA-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