General Information of the Compound
| Compound ID |
CP0171140
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| Compound Name |
(3-((2-(3-methoxy-5-morpholinophenylamino)pyrimidin-4-yl)(methyl)amino)-4-methylphenyl)methanol
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| Structure |
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| Formula |
C24H29N5O3
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| Molecular Weight |
435.528
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| Canonical SMILES |
COc1cc(Nc2nccc(n2)N(C)c2cc(CO)ccc2C)cc(c1)N1CCOCC1
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| InChI |
InChI=1S/C24H29N5O3/c1-17-4-5-18(16-30)12-22(17)28(2)23-6-7-25-24(27-23)26-19-13-20(15-21(14-19)31-3)29-8-10-32-11-9-29/h4-7,12-15,30H,8-11,16H2,1-3H3,(H,25,26,27)
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| InChIKey |
WRFJDMAYWYYANT-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