General Information of the Compound
| Compound ID |
CP0252926
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| Compound Name |
(3-((2-(3,5-dimorpholinophenylamino)pyrimidin-4-yl)(2-methoxyethyl)amino)-4-methylphenyl)methanol
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| Structure |
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| Formula |
C29H38N6O4
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| Molecular Weight |
534.661
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| Canonical SMILES |
COCCN(c1ccnc(Nc2cc(cc(c2)N2CCOCC2)N2CCOCC2)n1)c1cc(CO)ccc1C
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| InChI |
InChI=1S/C29H38N6O4/c1-22-3-4-23(21-36)17-27(22)35(11-12-37-2)28-5-6-30-29(32-28)31-24-18-25(33-7-13-38-14-8-33)20-26(19-24)34-9-15-39-16-10-34/h3-6,17-20,36H,7-16,21H2,1-2H3,(H,30,31,32)
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| InChIKey |
HVLNVFOAUCUYQK-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