General Information of the Compound
| Compound ID |
CP0340472
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| Compound Name |
5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C15H16N4O2
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| Molecular Weight |
284.319
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| Canonical SMILES |
COc1ccc(OC)c(CC#Cc2cnc(N)nc2N)c1
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| InChI |
InChI=1S/C15H16N4O2/c1-20-12-6-7-13(21-2)10(8-12)4-3-5-11-9-18-15(17)19-14(11)16/h6-9H,4H2,1-2H3,(H4,16,17,18,19)
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| InChIKey |
UVQNCTDTAXLPKN-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