General Information of the Compound
| Compound ID |
CP0399926
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| Compound Name |
1-N-[4-[2-(1-ethylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-1-N'-(2-fluorophenyl)cyclopropane-1,1-dicarboxamide
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| Structure |
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| Formula |
C29H23F2N5O3S
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| Molecular Weight |
559.598
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| Canonical SMILES |
CCn1cnc(c1)-c1cc2nccc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccccc4F)cc3F)c2s1
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| InChI |
InChI=1S/C29H23F2N5O3S/c1-2-36-15-22(33-16-36)25-14-21-26(40-25)24(9-12-32-21)39-23-8-7-17(13-19(23)31)34-27(37)29(10-11-29)28(38)35-20-6-4-3-5-18(20)30/h3-9,12-16H,2,10-11H2,1H3,(H,34,37)(H,35,38)
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| InChIKey |
NJCUQMYNSWUWGU-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