General Information of the Compound
| Compound ID |
CP0516732
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| Compound Name |
US9238644, 57-2A
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| Structure |
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| Formula |
C25H30F3N7O
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| Molecular Weight |
501.557
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| Canonical SMILES |
C[C@H](C(N)=O)c1ccccc1CCc1nc(Nc2cnn(c2)C2CCN(C)CC2)ncc1C(F)(F)F
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| InChI |
InChI=1S/C25H30F3N7O/c1-16(23(29)36)20-6-4-3-5-17(20)7-8-22-21(25(26,27)28)14-30-24(33-22)32-18-13-31-35(15-18)19-9-11-34(2)12-10-19/h3-6,13-16,19H,7-12H2,1-2H3,(H2,29,36)(H,30,32,33)/t16-/m0/s1
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| InChIKey |
RJUAJPXDDBGVQP-INIZCTEOSA-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