General Information of the Compound
| Compound ID |
CP0091881
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| Compound Name |
2,4-Pyrimidine derivative, 28
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| Structure |
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| Formula |
C18H15ClN4O4S
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| Molecular Weight |
418.862
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| Canonical SMILES |
CS(=O)(=O)c1cccc(Nc2nccc(Nc3c4OCOc4ccc3Cl)n2)c1
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| InChI |
InChI=1S/C18H15ClN4O4S/c1-28(24,25)12-4-2-3-11(9-12)21-18-20-8-7-15(23-18)22-16-13(19)5-6-14-17(16)27-10-26-14/h2-9H,10H2,1H3,(H2,20,21,22,23)
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| InChIKey |
QTFCKBFCXDAZIU-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