General Information of the Compound
| Compound ID |
CP0494025
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| Compound Name |
2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[5-(1,3-oxazol-5-yl)thiophen-2-yl]pyrimidin-4-amine
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| Structure |
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| Formula |
C21H20N4O3S
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| Molecular Weight |
408.483
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| Canonical SMILES |
COc1ccc(CCNc2cc(nc(OC)n2)-c2ccc(s2)-c2cnco2)cc1
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| InChI |
InChI=1S/C21H20N4O3S/c1-26-15-5-3-14(4-6-15)9-10-23-20-11-16(24-21(25-20)27-2)18-7-8-19(29-18)17-12-22-13-28-17/h3-8,11-13H,9-10H2,1-2H3,(H,23,24,25)
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| InChIKey |
VVOCDZXSPRDCKW-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