General Information of the Compound
| Compound ID |
CP0291574
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| Compound Name |
1-N-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
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| Structure |
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| Formula |
C29H24FN5O3S
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| Molecular Weight |
541.608
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| Canonical SMILES |
CN(C(=O)C1(CC1)C(=O)Nc1ccc(Oc2ccnc3cc(sc23)-c2cn(C)cn2)c(F)c1)c1ccccc1
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| InChI |
InChI=1S/C29H24FN5O3S/c1-34-16-22(32-17-34)25-15-21-26(39-25)24(10-13-31-21)38-23-9-8-18(14-20(23)30)33-27(36)29(11-12-29)28(37)35(2)19-6-4-3-5-7-19/h3-10,13-17H,11-12H2,1-2H3,(H,33,36)
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| InChIKey |
CDNLCCFEKDHCTK-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