General Information of the Compound
| Compound ID |
CP0474623
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| Compound Name |
N-[2-(3,5-dimethylpyrazol-1-yl)-6-[(2R,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]acetamide
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| Structure |
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| Formula |
C18H26N6O3
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| Molecular Weight |
374.445
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| Canonical SMILES |
COC[C@H]1C[C@H](CN1c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C)OC
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| InChI |
InChI=1S/C18H26N6O3/c1-11-6-12(2)24(22-11)18-20-16(19-13(3)25)8-17(21-18)23-9-15(27-5)7-14(23)10-26-4/h6,8,14-15H,7,9-10H2,1-5H3,(H,19,20,21,25)/t14-,15-/m1/s1
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| InChIKey |
FCRJTICZALDLSZ-HUUCEWRRSA-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