General Information of the Compound
| Compound ID |
CP0529612
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| Compound Name |
5-chloro-4-methyl-6-(2-phenylethylsulfanyl)-2-pyridin-2-ylpyrimidine
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| Structure |
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| Formula |
C18H16ClN3S
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| Molecular Weight |
341.867
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| Canonical SMILES |
Cc1nc(nc(SCCc2ccccc2)c1Cl)-c1ccccn1
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| InChI |
InChI=1S/C18H16ClN3S/c1-13-16(19)18(23-12-10-14-7-3-2-4-8-14)22-17(21-13)15-9-5-6-11-20-15/h2-9,11H,10,12H2,1H3
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| InChIKey |
MYCTYVPWNJZLME-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