General Information of the Compound
| Compound ID |
CP0002270
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| Compound Name |
(2,4-diaminopyrimidin-5-yl)-(4,5-dimethoxy-2-propan-2-ylphenyl)methanol
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| Structure |
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| Formula |
C16H22N4O3
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| Molecular Weight |
318.377
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| Canonical SMILES |
COc1cc(C(C)C)c(cc1OC)C(O)c1cnc(N)nc1N
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| InChI |
InChI=1S/C16H22N4O3/c1-8(2)9-5-12(22-3)13(23-4)6-10(9)14(21)11-7-19-16(18)20-15(11)17/h5-8,14,21H,1-4H3,(H4,17,18,19,20)
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| InChIKey |
MXKBJDXIQUUHLJ-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