General Information of the Compound
| Compound ID |
CP0441015
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| Compound Name |
N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]propanamide
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| Structure |
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| Formula |
C30H31F3N6OS
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| Molecular Weight |
580.68
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| Canonical SMILES |
CN1CCN(Cc2ccc(NC(=O)CCSc3ccc4c(\C=C\c5ccccn5)n[nH]c4c3)cc2C(F)(F)F)CC1
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| InChI |
InChI=1S/C30H31F3N6OS/c1-38-13-15-39(16-14-38)20-21-5-6-23(18-26(21)30(31,32)33)35-29(40)11-17-41-24-8-9-25-27(36-37-28(25)19-24)10-7-22-4-2-3-12-34-22/h2-10,12,18-19H,11,13-17,20H2,1H3,(H,35,40)(H,36,37)/b10-7+
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| InChIKey |
UDEAKWSKOGAXIJ-JXMROGBWSA-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: PT01678, Discoidin domain-containing receptor 2
Protein ID: PT01064, Ephrin type-A receptor 1
Protein ID: PT01335, Ephrin type-A receptor 2
Protein ID: PT02113, Epithelial discoidin domain-containing receptor 1
Protein ID: PT01091, Fibroblast growth factor receptor 1
Protein ID: PT01115, Fibroblast growth factor receptor 2
Protein ID: PT01411, Fibroblast growth factor receptor 3
Protein ID: PT01343, Fibroblast growth factor receptor 4
Protein ID: PT00934, High affinity nerve growth factor receptor
Protein ID: PT01008, Macrophage colony-stimulating factor 1 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: PT00951, Proto-oncogene tyrosine-protein kinase receptor Ret
Protein ID: PT00879, Proto-oncogene tyrosine-protein kinase Src
Protein ID: PT01204, Receptor-type tyrosine-protein kinase FLT3
Protein ID: PT01071, Tyrosine-protein kinase ABL1
Protein ID: PT01142, Vascular endothelial growth factor receptor 1
Protein ID: PT00864, Vascular endothelial growth factor receptor 2
Cell Viability or Cytotoxicity Assay