General Information of the Compound
| Compound ID |
CP0002230
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| Compound Name |
4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide
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| Synonyms |
4-Methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-N-[5-(4-methyl-1H-imidazo
4-Methyl-N-(3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl)-3-((4-pyridin-3-ylpyrimidin-2-yl)amino)benzamide
4-Methyl-N-[3-(4-methylimidazol-1-yl)-5-trifluoromethylphenyl]-3-[[4-(pyridin-3-yl)pyrimidin-2-yl]amino]benzamide
4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide
Benzamide, 4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-(9CI)
L-1-yl)-3-(trifluoromethyl)phenyl]benzamide
NIL
Nilotinib
Nilotinib (BCR-ABL inhibitor 2nd gen)
Nilotinib (INN/USAN)
Nilotinib, AMN107, Tasigna
Nilotinibum
Tasigna (Novartis)
Tasigna, AMN-107, Nilotinib
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| Structure |
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| Formula |
C28H22F3N7O
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| Molecular Weight |
529.526
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| Canonical SMILES |
Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37)
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| InChIKey |
HHZIURLSWUIHRB-UHFFFAOYSA-N
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| CAS |
641571-10-0
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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: PT02032, Macrophage colony-stimulating factor 1 receptor
Protein ID: PT00888, Mast/stem cell growth factor receptor Kit
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000002 | K-562 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 21 nM
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TI
LI
LO
TS
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| CL000082 | HEL | Homo sapiens (Human) | 1 |
| 1 |
GI50 = 3900 nM
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TI
LI
LO
TS
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Clinical Information about the Compound