General Information of the Compound
| Compound ID |
CP0400856
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| Compound Name |
4-(Benzylthio)-2-(methylthio)-6-(3-pyridylmethylamino)pyrimidine-5-carboxylic Acid
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| Structure |
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| Formula |
C19H18N4O2S2
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| Molecular Weight |
398.513
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| Canonical SMILES |
CSc1nc(NCc2cccnc2)c(C(O)=O)c(SCc2ccccc2)n1
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| InChI |
InChI=1S/C19H18N4O2S2/c1-26-19-22-16(21-11-14-8-5-9-20-10-14)15(18(24)25)17(23-19)27-12-13-6-3-2-4-7-13/h2-10H,11-12H2,1H3,(H,24,25)(H,21,22,23)
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| InChIKey |
IAWJVKHNXLKFMR-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