General Information of the Compound
| Compound ID |
CP0574900
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| Compound Name |
2-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]amino]phenyl]-N-(4-propan-2-ylphenyl)acetamide
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| Structure |
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| Formula |
C29H34N8O2
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| Molecular Weight |
526.645
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| Canonical SMILES |
CC(C)c1ccc(NC(=O)Cc2ccc(Nc3nc(Nc4cc(C)n[nH]4)cc(n3)N3CCOCC3)cc2)cc1
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| InChI |
InChI=1S/C29H34N8O2/c1-19(2)22-6-10-23(11-7-22)30-28(38)17-21-4-8-24(9-5-21)31-29-33-25(32-26-16-20(3)35-36-26)18-27(34-29)37-12-14-39-15-13-37/h4-11,16,18-19H,12-15,17H2,1-3H3,(H,30,38)(H3,31,32,33,34,35,36)
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| InChIKey |
MIGMVBYRWDDFTO-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