General Information of the Compound
| Compound ID |
CP0421231
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| Compound Name |
N-[[1-[4-[[3-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoylamino]-2-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]propanamide
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| Structure |
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| Formula |
C34H36F3N5O5
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| Molecular Weight |
651.686
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| Canonical SMILES |
CCC(=O)NCC1CCN(CC1)c1ccc(NC(=O)Nc2cccc(Oc3ccnc4cc(OC)c(OC)cc34)c2)cc1C(F)(F)F
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| InChI |
InChI=1S/C34H36F3N5O5/c1-4-32(43)39-20-21-11-14-42(15-12-21)28-9-8-23(17-26(28)34(35,36)37)41-33(44)40-22-6-5-7-24(16-22)47-29-10-13-38-27-19-31(46-3)30(45-2)18-25(27)29/h5-10,13,16-19,21H,4,11-12,14-15,20H2,1-3H3,(H,39,43)(H2,40,41,44)
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| InChIKey |
OLGYUCMAKXEACW-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: PT01008, Macrophage colony-stimulating factor 1 receptor
Protein ID: PT00888, Mast/stem cell growth factor receptor Kit
Cell-based Assay
Protein ID: PT00844, Platelet-derived growth factor receptor beta
Protein ID: PT00951, Proto-oncogene tyrosine-protein kinase receptor Ret
Protein ID: PT01204, Receptor-type tyrosine-protein kinase FLT3
Protein ID: PT00925, Vascular endothelial growth factor receptor 3