General Information of the Compound
| Compound ID |
CP0387299
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| Compound Name |
4-(methylamino)-2-[4-methyl-3-(propanoylamino)anilino]-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrimidine-5-carboxamide
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| Structure |
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| Formula |
C31H30F3N7O3
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| Molecular Weight |
605.621
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| Canonical SMILES |
CCC(=O)Nc1cc(Nc2ncc(C(=O)Nc3cc(NC(=O)c4cccc(c4)C(F)(F)F)ccc3C)c(NC)n2)ccc1C
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| InChI |
InChI=1S/C31H30F3N7O3/c1-5-26(42)39-24-15-22(12-10-17(24)2)38-30-36-16-23(27(35-4)41-30)29(44)40-25-14-21(11-9-18(25)3)37-28(43)19-7-6-8-20(13-19)31(32,33)34/h6-16H,5H2,1-4H3,(H,37,43)(H,39,42)(H,40,44)(H2,35,36,38,41)
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| InChIKey |
BYCFKWQXKQNWSN-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
Protein ID: PT01669, Cytoplasmic tyrosine-protein kinase BMX
Protein ID: PT00922, Epidermal growth factor receptor
Protein ID: PT00888, Mast/stem cell growth factor receptor Kit
Protein ID: PT01092, Platelet-derived growth factor receptor alpha
Protein ID: PT00844, Platelet-derived growth factor receptor beta
Protein ID: PT01204, Receptor-type tyrosine-protein kinase FLT3
Protein ID: PT01071, Tyrosine-protein kinase ABL1
Protein ID: PT01654, Tyrosine-protein kinase Blk
Protein ID: PT00892, Tyrosine-protein kinase JAK3
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000077 | Ba/F3 | Mus musculus (Mouse) | 1 |
| 1 |
GI50 > 10000 nM
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TI
LI
LO
TS
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