General Information of the Compound
| Compound ID |
CP0256543
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| Compound Name |
(3-(4-((5-(hydroxymethyl)-2-methylphenyl)(methyl)amino)pyrimidin-2-ylamino)-5-morpholinophenyl)(morpholino)methanone
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| Structure |
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| Formula |
C28H34N6O4
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| Molecular Weight |
518.618
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| Canonical SMILES |
CN(c1ccnc(Nc2cc(cc(c2)C(=O)N2CCOCC2)N2CCOCC2)n1)c1cc(CO)ccc1C
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| InChI |
InChI=1S/C28H34N6O4/c1-20-3-4-21(19-35)15-25(20)32(2)26-5-6-29-28(31-26)30-23-16-22(27(36)34-9-13-38-14-10-34)17-24(18-23)33-7-11-37-12-8-33/h3-6,15-18,35H,7-14,19H2,1-2H3,(H,29,30,31)
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| InChIKey |
GDSMXJSCOHGIGX-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