General Information of the Compound
| Compound ID |
CP0346926
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| Compound Name |
5-[(Z)-[6-[3-[[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)benzoyl]amino]anilino]-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylic acid
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| Structure |
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| Formula |
C33H29F3N6O4
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| Molecular Weight |
630.627
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| Canonical SMILES |
CN1CCN(CC1)c1cc(cc(c1)C(F)(F)F)C(=O)Nc1cccc(Nc2ccc3\C(=C\c4cc(c[nH]4)C(O)=O)C(=O)Nc3c2)c1
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| InChI |
InChI=1S/C33H29F3N6O4/c1-41-7-9-42(10-8-41)26-13-19(11-21(14-26)33(34,35)36)30(43)39-23-4-2-3-22(15-23)38-24-5-6-27-28(31(44)40-29(27)17-24)16-25-12-20(18-37-25)32(45)46/h2-6,11-18,37-38H,7-10H2,1H3,(H,39,43)(H,40,44)(H,45,46)/b28-16-
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| InChIKey |
FWZMHIPXROINAE-NTFVMDSBSA-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: 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: 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: 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 > 10000 nM
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TI
LI
LO
TS
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