General Information of the Compound
| Compound ID |
CP0060268
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| Compound Name |
4,6-dichloro-5-[(E)-2-(2-methoxyphenyl)sulfonylethenyl]pyrimidine
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| Structure |
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| Formula |
C13H10Cl2N2O3S
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| Molecular Weight |
345.207
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| Canonical SMILES |
COc1ccccc1S(=O)(=O)\C=C\c1c(Cl)ncnc1Cl
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| InChI |
InChI=1S/C13H10Cl2N2O3S/c1-20-10-4-2-3-5-11(10)21(18,19)7-6-9-12(14)16-8-17-13(9)15/h2-8H,1H3/b7-6+
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| InChIKey |
FSJZHHVOPFHAQR-VOTSOKGWSA-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