General Information of the Compound
| Compound ID |
CP0579084
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| Compound Name |
N-(4-tert-butylphenyl)-2-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]amino]phenyl]acetamide
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| Structure |
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| Formula |
C30H36N8O2
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| Molecular Weight |
540.672
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| Canonical SMILES |
Cc1cc(Nc2cc(nc(Nc3ccc(CC(=O)Nc4ccc(cc4)C(C)(C)C)cc3)n2)N2CCOCC2)[nH]n1
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| InChI |
InChI=1S/C30H36N8O2/c1-20-17-26(37-36-20)33-25-19-27(38-13-15-40-16-14-38)35-29(34-25)32-24-9-5-21(6-10-24)18-28(39)31-23-11-7-22(8-12-23)30(2,3)4/h5-12,17,19H,13-16,18H2,1-4H3,(H,31,39)(H3,32,33,34,35,36,37)
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| InChIKey |
SPWIDOBFISHYDL-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