General Information of the Compound
| Compound ID |
CP0135844
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| Compound Name |
4-N-(2,5-dimethylphenyl)-2-N-(3,5-dimorpholin-4-ylphenyl)-4-N-methylpyrimidine-2,4-diamine
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| Structure |
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| Formula |
C27H34N6O2
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| Molecular Weight |
474.609
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| Canonical SMILES |
CN(c1ccnc(Nc2cc(cc(c2)N2CCOCC2)N2CCOCC2)n1)c1cc(C)ccc1C
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| InChI |
InChI=1S/C27H34N6O2/c1-20-4-5-21(2)25(16-20)31(3)26-6-7-28-27(30-26)29-22-17-23(32-8-12-34-13-9-32)19-24(18-22)33-10-14-35-15-11-33/h4-7,16-19H,8-15H2,1-3H3,(H,28,29,30)
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| InChIKey |
IAVMNGJNMUJPOX-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