General Information of the Compound
| Compound ID |
CP0524067
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| Compound Name |
6-(3-chlorophenyl)-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 |
C20H25ClN8
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| Molecular Weight |
412.929
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| Canonical SMILES |
CC(C)CNc1nccc(NCCNc2cc(nc(N)n2)-c2cccc(Cl)c2)n1
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| InChI |
InChI=1S/C20H25ClN8/c1-13(2)12-26-20-25-7-6-17(29-20)23-8-9-24-18-11-16(27-19(22)28-18)14-4-3-5-15(21)10-14/h3-7,10-11,13H,8-9,12H2,1-2H3,(H3,22,24,27,28)(H2,23,25,26,29)
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| InChIKey |
SILKGWGXUSNTHP-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