General Information of the Compound
| Compound ID |
CP0002322
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| Compound Name |
4-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-5-propan-2-ylbenzonitrile
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| Structure |
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| Formula |
C15H17N5O2
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| Molecular Weight |
299.334
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| Canonical SMILES |
COc1cc(Oc2cnc(N)nc2N)c(cc1C#N)C(C)C
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| InChI |
InChI=1S/C15H17N5O2/c1-8(2)10-4-9(6-16)11(21-3)5-12(10)22-13-7-19-15(18)20-14(13)17/h4-5,7-8H,1-3H3,(H4,17,18,19,20)
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| InChIKey |
CAEAPEFQIXQAMJ-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