General Information of the Compound
| Compound ID |
CP0058677
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| Compound Name |
5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-methylpyrimidine-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 |
COc1ccc(OC)c(CC#Cc2c(C)nc(N)nc2N)c1
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| InChI |
InChI=1S/C16H18N4O2/c1-10-13(15(17)20-16(18)19-10)6-4-5-11-9-12(21-2)7-8-14(11)22-3/h7-9H,5H2,1-3H3,(H4,17,18,19,20)
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| InChIKey |
OEYXETAXVXPYMF-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