General Information of the Compound
| Compound ID |
CP0473815
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| Compound Name |
N'-[4-[2-(1-ethylimidazole-4-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-N-phenylpropanediamide
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| Structure |
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| Formula |
C28H22FN5O4S
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| Molecular Weight |
543.58
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| Canonical SMILES |
CCn1cnc(c1)C(=O)c1cc2nccc(Oc3ccc(NC(=O)CC(=O)Nc4ccccc4)cc3F)c2s1
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| InChI |
InChI=1S/C28H22FN5O4S/c1-2-34-15-21(31-16-34)27(37)24-13-20-28(39-24)23(10-11-30-20)38-22-9-8-18(12-19(22)29)33-26(36)14-25(35)32-17-6-4-3-5-7-17/h3-13,15-16H,2,14H2,1H3,(H,32,35)(H,33,36)
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| InChIKey |
YEICXZQUNLMHNW-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