General Information of the Compound
| Compound ID |
CP0534043
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| Compound Name |
N'-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-N-(3-fluorophenyl)propanediamide
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| Structure |
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| Formula |
C27H21F2N5O3S
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| Molecular Weight |
533.56
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| Canonical SMILES |
CCn1cnc(c1)-c1cc2nccc(Oc3ccc(NC(=O)CC(=O)Nc4cccc(F)c4)cc3F)c2s1
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| InChI |
InChI=1S/C27H21F2N5O3S/c1-2-34-14-21(31-15-34)24-12-20-27(38-24)23(8-9-30-20)37-22-7-6-18(11-19(22)29)33-26(36)13-25(35)32-17-5-3-4-16(28)10-17/h3-12,14-15H,2,13H2,1H3,(H,32,35)(H,33,36)
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| InChIKey |
YLOWYMLGKQEHQR-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: PT01201, Hepatocyte growth factor receptor
Protein ID: PT00864, Vascular endothelial growth factor receptor 2