General Information of the Compound
| Compound ID |
CP0290530
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| Compound Name |
3-(2,4-diaminopyrimidin-5-yl)-1-(3,4,5-trimethoxyphenyl)prop-2-yn-1-ol
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| Structure |
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| Formula |
C16H18N4O4
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| Molecular Weight |
330.344
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| Canonical SMILES |
COc1cc(cc(OC)c1OC)C(O)C#Cc1cnc(N)nc1N
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| InChI |
InChI=1S/C16H18N4O4/c1-22-12-6-10(7-13(23-2)14(12)24-3)11(21)5-4-9-8-19-16(18)20-15(9)17/h6-8,11,21H,1-3H3,(H4,17,18,19,20)
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| InChIKey |
CHQKJSKTNSOLMY-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