General Information of the Compound
| Compound ID |
CP0376375
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| Compound Name |
4,4,4-trifluoro-N-(4-fluorophenyl)-3-(4-(2-(1-methyl-1H-imidazol-4-yl)thieno[3,2-b]pyridin-7-yloxy)phenylamino)butanamide
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| Structure |
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| Formula |
C27H21F4N5O2S
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| Molecular Weight |
555.557
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| Canonical SMILES |
Cn1cnc(c1)-c1cc2nccc(Oc3ccc(NC(CC(=O)Nc4ccc(F)cc4)C(F)(F)F)cc3)c2s1
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| InChI |
InChI=1S/C27H21F4N5O2S/c1-36-14-21(33-15-36)23-12-20-26(39-23)22(10-11-32-20)38-19-8-6-17(7-9-19)34-24(27(29,30)31)13-25(37)35-18-4-2-16(28)3-5-18/h2-12,14-15,24,34H,13H2,1H3,(H,35,37)
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| InChIKey |
GNPAAWCPMQVWOZ-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
Cell-based Assay
Protein ID: PT00864, Vascular endothelial growth factor receptor 2