General Information of the Compound
| Compound ID |
CP0559807
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| Compound Name |
US9238644, 36
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| Structure |
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| Formula |
C19H21ClN6O
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| Molecular Weight |
384.871
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| Canonical SMILES |
CC(C(N)=O)c1ccccc1CCc1nc(Nc2cnn(C)c2)ncc1Cl
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| InChI |
InChI=1S/C19H21ClN6O/c1-12(18(21)27)15-6-4-3-5-13(15)7-8-17-16(20)10-22-19(25-17)24-14-9-23-26(2)11-14/h3-6,9-12H,7-8H2,1-2H3,(H2,21,27)(H,22,24,25)
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| InChIKey |
JAHMDTQVHMQVJF-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