General Information of the Compound
| Compound ID |
CP0342770
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| Compound Name |
US9340555, 87
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| Structure |
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| Formula |
C28H27FN4O5S
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| Molecular Weight |
550.612
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| Canonical SMILES |
COC(=O)CNCCCNC(=O)c1cc2nccc(Oc3cccc(c3)C(=O)Nc3cc(C)ccc3F)c2s1
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| InChI |
InChI=1S/C28H27FN4O5S/c1-17-7-8-20(29)21(13-17)33-27(35)18-5-3-6-19(14-18)38-23-9-12-31-22-15-24(39-26(22)23)28(36)32-11-4-10-30-16-25(34)37-2/h3,5-9,12-15,30H,4,10-11,16H2,1-2H3,(H,32,36)(H,33,35)
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| InChIKey |
VMQYFQOHJRPJGJ-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: PT01142, Vascular endothelial growth factor receptor 1
Protein ID: PT00864, Vascular endothelial growth factor receptor 2