General Information of the Compound
| Compound ID |
CP0525310
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| Compound Name |
6-(3-chlorophenyl)-4-N-methyl-4-N-[2-[[2-(2-methylpropylamino)pyrimidin-4-yl]amino]ethyl]pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C21H27ClN8
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| Molecular Weight |
426.956
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| Canonical SMILES |
CC(C)CNc1nccc(NCCN(C)c2cc(nc(N)n2)-c2cccc(Cl)c2)n1
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| InChI |
InChI=1S/C21H27ClN8/c1-14(2)13-26-21-25-8-7-18(28-21)24-9-10-30(3)19-12-17(27-20(23)29-19)15-5-4-6-16(22)11-15/h4-8,11-12,14H,9-10,13H2,1-3H3,(H2,23,27,29)(H2,24,25,26,28)
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| InChIKey |
PQNOYUJQHSPBEM-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