General Information of the Compound
| Compound ID |
CP0527524
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| Compound Name |
4-N-methyl-4-N-[2-[[2-(2-methylpropylamino)pyrimidin-4-yl]amino]ethyl]-6-phenylpyrimidine-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)CNc1nccc(NCCN(C)c2cc(nc(N)n2)-c2ccccc2)n1
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| InChI |
InChI=1S/C21H28N8/c1-15(2)14-25-21-24-10-9-18(27-21)23-11-12-29(3)19-13-17(26-20(22)28-19)16-7-5-4-6-8-16/h4-10,13,15H,11-12,14H2,1-3H3,(H2,22,26,28)(H2,23,24,25,27)
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| InChIKey |
YIJQXLOTARWYFR-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