General Information of the Compound
| Compound ID |
CP0534044
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| Compound Name |
N'-[3-fluoro-4-[2-(pyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-phenylpropanediamide
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| Structure |
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| Formula |
C27H23FN4O4S
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| Molecular Weight |
518.57
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| Canonical SMILES |
Fc1cc(NC(=O)CC(=O)Nc2ccccc2)ccc1Oc1ccnc2cc(sc12)C(=O)N1CCCC1
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| InChI |
InChI=1S/C27H23FN4O4S/c28-19-14-18(31-25(34)16-24(33)30-17-6-2-1-3-7-17)8-9-21(19)36-22-10-11-29-20-15-23(37-26(20)22)27(35)32-12-4-5-13-32/h1-3,6-11,14-15H,4-5,12-13,16H2,(H,30,33)(H,31,34)
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| InChIKey |
QMEPZWHCBROEIB-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