General Information of the Compound
| Compound ID |
CP0559568
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| Compound Name |
N-(3,5-dichloropyridin-4-yl)-4-(3,4-dimethoxyphenyl)-2-methylsulfanylpyrimidine-5-carboxamide
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| Structure |
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| Formula |
C19H16Cl2N4O3S
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| Molecular Weight |
451.335
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| Canonical SMILES |
COc1ccc(cc1OC)-c1nc(SC)ncc1C(=O)Nc1c(Cl)cncc1Cl
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| InChI |
InChI=1S/C19H16Cl2N4O3S/c1-27-14-5-4-10(6-15(14)28-2)16-11(7-23-19(25-16)29-3)18(26)24-17-12(20)8-22-9-13(17)21/h4-9H,1-3H3,(H,22,24,26)
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| InChIKey |
UAPPBABBVUVLDL-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