General Information of the Compound
| Compound ID |
CP0373033
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| Compound Name |
4-(Benzylthio)-2-(methylthio)-6-(2-phenethylamino)pyrimidine-5-carboxylic Acid
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| Structure |
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| Formula |
C21H21N3O2S2
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| Molecular Weight |
411.552
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| Canonical SMILES |
CSc1nc(NCCc2ccccc2)c(C(O)=O)c(SCc2ccccc2)n1
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| InChI |
InChI=1S/C21H21N3O2S2/c1-27-21-23-18(22-13-12-15-8-4-2-5-9-15)17(20(25)26)19(24-21)28-14-16-10-6-3-7-11-16/h2-11H,12-14H2,1H3,(H,25,26)(H,22,23,24)
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| InChIKey |
OVKYMGOJMAJVRA-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