General Information of the Compound
| Compound ID |
CP0394866
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| Compound Name |
N-[2-(2,2-difluoro-1,3-benzodioxol-5-yl)ethyl]-2-methoxy-6-pyridin-3-ylpyrimidin-4-amine
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| Structure |
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| Formula |
C19H16F2N4O3
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| Molecular Weight |
386.358
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| Canonical SMILES |
COc1nc(NCCc2ccc3OC(F)(F)Oc3c2)cc(n1)-c1cccnc1
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| InChI |
InChI=1S/C19H16F2N4O3/c1-26-18-24-14(13-3-2-7-22-11-13)10-17(25-18)23-8-6-12-4-5-15-16(9-12)28-19(20,21)27-15/h2-5,7,9-11H,6,8H2,1H3,(H,23,24,25)
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| InChIKey |
UNCKIGAYSRVTQH-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