General Information of the Compound
| Compound ID |
CP0525312
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| Compound Name |
4-N-[2-[(2-amino-6-phenylpyrimidin-4-yl)amino]ethyl]-6-(3-methylbutyl)pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C21H28N8
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| Molecular Weight |
392.511
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| Canonical SMILES |
CC(C)CCc1cc(NCCNc2cc(nc(N)n2)-c2ccccc2)nc(N)n1
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| InChI |
InChI=1S/C21H28N8/c1-14(2)8-9-16-12-18(28-20(22)26-16)24-10-11-25-19-13-17(27-21(23)29-19)15-6-4-3-5-7-15/h3-7,12-14H,8-11H2,1-2H3,(H3,22,24,26,28)(H3,23,25,27,29)
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| InChIKey |
JIMJSGKFECMTKT-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