General Information of the Compound
| Compound ID |
CP0378059
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| Compound Name |
N-[3-[[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]amino]phenyl]-3-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C27H19F3N4O2
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| Molecular Weight |
488.469
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| Canonical SMILES |
FC(F)(F)c1cccc(c1)C(=O)Nc1cccc(Nc2ccc3\C(=C\c4ccc[nH]4)C(=O)Nc3c2)c1
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| InChI |
InChI=1S/C27H19F3N4O2/c28-27(29,30)17-5-1-4-16(12-17)25(35)33-20-7-2-6-19(13-20)32-21-9-10-22-23(14-18-8-3-11-31-18)26(36)34-24(22)15-21/h1-15,31-32H,(H,33,35)(H,34,36)/b23-14-
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| InChIKey |
HMMBZLXOFKQWRQ-UCQKPKSFSA-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: PT06841, ALK tyrosine kinase receptor
Protein ID: PT06169, Cytoplasmic tyrosine-protein kinase BMX
Protein ID: PT06860, Ephrin type-A receptor 3
Protein ID: PT04968, Ephrin type-B receptor 2
Protein ID: PT06924, Fibroblast growth factor receptor 3
Protein ID: PT07029, Fibroblast growth factor receptor 4
Protein ID: PT04740, Hepatocyte growth factor receptor
Protein ID: PT05069, Insulin receptor
Protein ID: PT06120, Insulin-like growth factor 1 receptor
Protein ID: PT02032, Macrophage colony-stimulating factor 1 receptor
Protein ID: PT06925, Macrophage-stimulating protein receptor
Protein ID: PT06681, Mast/stem cell growth factor receptor Kit
Protein ID: PT06170, Mitogen-activated protein kinase 9
Protein ID: PT00832, Platelet-derived growth factor receptor beta
Protein ID: PT06733, Proto-oncogene tyrosine-protein kinase receptor Ret
Protein ID: PT06680, Proto-oncogene tyrosine-protein kinase ROS
Protein ID: PT02255, Proto-oncogene tyrosine-protein kinase Src
Protein ID: PT05302, Receptor-type tyrosine-protein kinase FLT3
Protein ID: PT06926, Tyrosine-protein kinase Fgr
Protein ID: PT02084, Tyrosine-protein kinase Lyn
Protein ID: PT06840, Tyrosine-protein kinase receptor Tie-1
Protein ID: PT06752, Tyrosine-protein kinase ZAP-70
Protein ID: PT02141, Vascular endothelial growth factor receptor 1
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000077 | Ba/F3 | Mus musculus (Mouse) | 1 |
| 1 |
IC50 = 4800 nM
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TI
LI
LO
TS
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