General Information of the Compound
| Compound ID |
CP0559883
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| Compound Name |
US9238644, 3
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| Structure |
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| Formula |
C29H32F3N5O
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| Molecular Weight |
523.603
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| Canonical SMILES |
CN1CCC(CC1)c1ccc(Nc2ncc(c(CCc3ccccc3C3(CC3)C(N)=O)n2)C(F)(F)F)cc1
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| InChI |
InChI=1S/C29H32F3N5O/c1-37-16-12-20(13-17-37)19-6-9-22(10-7-19)35-27-34-18-24(29(30,31)32)25(36-27)11-8-21-4-2-3-5-23(21)28(14-15-28)26(33)38/h2-7,9-10,18,20H,8,11-17H2,1H3,(H2,33,38)(H,34,35,36)
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| InChIKey |
RLIHQICAODIXMW-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: PT00864, Vascular endothelial growth factor receptor 2
Protein ID: PT00925, Vascular endothelial growth factor receptor 3