General Information of the Compound
| Compound ID |
CP0453893
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| Compound Name |
4-(Benzylamino)-2-(methylthio)-6-(2-thienyl)pyrimidine-5-carboxylic Acid
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| Structure |
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| Formula |
C17H15N3O2S2
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| Molecular Weight |
357.46
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| Canonical SMILES |
CSc1nc(NCc2ccccc2)c(C(O)=O)c(n1)-c1cccs1
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| InChI |
InChI=1S/C17H15N3O2S2/c1-23-17-19-14(12-8-5-9-24-12)13(16(21)22)15(20-17)18-10-11-6-3-2-4-7-11/h2-9H,10H2,1H3,(H,21,22)(H,18,19,20)
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| InChIKey |
RABULGLKUWBXPU-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