General Information of the Compound
| Compound ID |
CP0331508
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| Compound Name |
US9340555, 68
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| Structure |
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| Formula |
C29H30FN5O3S
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| Molecular Weight |
547.656
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| Canonical SMILES |
Cc1ccc(F)c(NC(=O)Nc2ccc(Oc3ccnc4cc(sc34)C(=O)NCCCN3CCCC3)cc2)c1
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| InChI |
InChI=1S/C29H30FN5O3S/c1-19-5-10-22(30)23(17-19)34-29(37)33-20-6-8-21(9-7-20)38-25-11-13-31-24-18-26(39-27(24)25)28(36)32-12-4-16-35-14-2-3-15-35/h5-11,13,17-18H,2-4,12,14-16H2,1H3,(H,32,36)(H2,33,34,37)
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| InChIKey |
HDFUJTPEMGTANU-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