General Information of the Compound
| Compound ID |
CP0135851
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| Compound Name |
(3-(isopropyl(2-(3-(methylsulfonyl)-5-morpholinophenylamino)pyrimidin-4-yl)amino)-4-methylphenyl)methanol
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| Structure |
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| Formula |
C26H33N5O4S
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| Molecular Weight |
511.648
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| Canonical SMILES |
CC(C)N(c1ccnc(Nc2cc(cc(c2)S(C)(=O)=O)N2CCOCC2)n1)c1cc(CO)ccc1C
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| InChI |
InChI=1S/C26H33N5O4S/c1-18(2)31(24-13-20(17-32)6-5-19(24)3)25-7-8-27-26(29-25)28-21-14-22(30-9-11-35-12-10-30)16-23(15-21)36(4,33)34/h5-8,13-16,18,32H,9-12,17H2,1-4H3,(H,27,28,29)
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| InChIKey |
AAXNCGQOXAXDOW-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