General Information of the Compound
| Compound ID |
CP0003207
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| Compound Name |
5-(5-ethynyl-4-methoxy-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C16H18N4O2
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| Molecular Weight |
298.346
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| Canonical SMILES |
COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1C#C
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| InChI |
InChI=1S/C16H18N4O2/c1-5-10-6-13(11(9(2)3)7-12(10)21-4)22-14-8-19-16(18)20-15(14)17/h1,6-9H,2-4H3,(H4,17,18,19,20)
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| InChIKey |
VIEFFPUQDBQGEW-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