General Information of the Compound
| Compound ID |
CP0378854
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| Compound Name |
N-[4,6-bis(1,3-benzodioxol-5-yl)pyrimidin-2-yl]propanamide
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| Structure |
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| Formula |
C21H17N3O5
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| Molecular Weight |
391.383
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| Canonical SMILES |
CCC(=O)Nc1nc(cc(n1)-c1ccc2OCOc2c1)-c1ccc2OCOc2c1
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| InChI |
InChI=1S/C21H17N3O5/c1-2-20(25)24-21-22-14(12-3-5-16-18(7-12)28-10-26-16)9-15(23-21)13-4-6-17-19(8-13)29-11-27-17/h3-9H,2,10-11H2,1H3,(H,22,23,24,25)
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| InChIKey |
WXEQUAWEYJXPRJ-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: PT01279, Adenosine receptor A3