General Information of the Compound
| Compound ID |
CP0010724
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| Compound Name |
5-(4-methoxy-5-methylsulfonyl-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C15H20N4O4S
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| Molecular Weight |
352.416
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| Canonical SMILES |
COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1S(C)(=O)=O
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| InChI |
InChI=1S/C15H20N4O4S/c1-8(2)9-5-11(22-3)13(24(4,20)21)6-10(9)23-12-7-18-15(17)19-14(12)16/h5-8H,1-4H3,(H4,16,17,18,19)
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| InChIKey |
OUQUOVKPHMOXRY-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