General Information of the Compound
| Compound ID |
CP0394740
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| Compound Name |
3-[6-[2-(2-chloro-6-fluorophenyl)ethylamino]-2-methoxypyrimidin-4-yl]benzaldehyde
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| Structure |
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| Formula |
C20H17ClFN3O2
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| Molecular Weight |
385.826
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| Canonical SMILES |
COc1nc(NCCc2c(F)cccc2Cl)cc(n1)-c1cccc(C=O)c1
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| InChI |
InChI=1S/C20H17ClFN3O2/c1-27-20-24-18(14-5-2-4-13(10-14)12-26)11-19(25-20)23-9-8-15-16(21)6-3-7-17(15)22/h2-7,10-12H,8-9H2,1H3,(H,23,24,25)
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| InChIKey |
RADNMCGCMBSLHM-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