General Information of the Compound
| Compound ID |
CP0550823
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| Compound Name |
2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl]phenyl]ethanol
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| Structure |
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| Formula |
C21H21ClN2O
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| Molecular Weight |
352.865
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| Canonical SMILES |
CCc1cc(Cc2ccc(CCO)cc2)nc(n1)-c1cccc(Cl)c1
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| InChI |
InChI=1S/C21H21ClN2O/c1-2-19-14-20(12-16-8-6-15(7-9-16)10-11-25)24-21(23-19)17-4-3-5-18(22)13-17/h3-9,13-14,25H,2,10-12H2,1H3
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| InChIKey |
ISFMNSBYUVHDCJ-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