General Information of the Compound
| Compound ID |
CP0252942
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| Compound Name |
(4-methyl-3-(methyl(2-(3-morpholino-5-(morpholinomethyl)phenylamino)pyrimidin-4-yl)amino)phenyl)methanol
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| Structure |
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| Formula |
C28H36N6O3
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| Molecular Weight |
504.635
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| Canonical SMILES |
CN(c1ccnc(Nc2cc(CN3CCOCC3)cc(c2)N2CCOCC2)n1)c1cc(CO)ccc1C
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| InChI |
InChI=1S/C28H36N6O3/c1-21-3-4-22(20-35)17-26(21)32(2)27-5-6-29-28(31-27)30-24-15-23(19-33-7-11-36-12-8-33)16-25(18-24)34-9-13-37-14-10-34/h3-6,15-18,35H,7-14,19-20H2,1-2H3,(H,29,30,31)
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| InChIKey |
JQTSMXRKIUPZQM-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