General Information of the Compound
| Compound ID |
CP0310124
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| Compound Name |
6-ethyl-5-(3-phenylprop-1-yn-1-yl)pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C15H16N4
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| Molecular Weight |
252.321
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| Canonical SMILES |
CCc1nc(N)nc(N)c1C#CCc1ccccc1
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| InChI |
InChI=1S/C15H16N4/c1-2-13-12(14(16)19-15(17)18-13)10-6-9-11-7-4-3-5-8-11/h3-5,7-8H,2,9H2,1H3,(H4,16,17,18,19)
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| InChIKey |
LZRXPKDKRFTIGM-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