General Information of the Compound
| Compound ID |
CP0242512
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| Compound Name |
N-[4-[2-[1-[2-(dimethylamino)ethyl]imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide
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| Structure |
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| Formula |
C30H28FN7O3S
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| Molecular Weight |
585.665
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| Canonical SMILES |
CN(C)CCn1cnc(c1)-c1cc2nccc(Oc3ccc(NC(=O)N4CCN(C4=O)c4ccccc4)cc3F)c2s1
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| InChI |
InChI=1S/C30H28FN7O3S/c1-35(2)12-13-36-18-24(33-19-36)27-17-23-28(42-27)26(10-11-32-23)41-25-9-8-20(16-22(25)31)34-29(39)38-15-14-37(30(38)40)21-6-4-3-5-7-21/h3-11,16-19H,12-15H2,1-2H3,(H,34,39)
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| InChIKey |
CRQMAEDPCQSZBK-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