General Information of the Compound
| Compound ID |
CP0326075
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9340555, 67
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H33FN6O3S
|
||||||||||||||||||
| Molecular Weight |
576.698
|
||||||||||||||||||
| Canonical SMILES |
CN1CCN(CCCNC(=O)c2cc3nccc(Oc4ccc(NC(=O)Nc5cc(C)ccc5F)cc4)c3s2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H33FN6O3S/c1-20-4-9-23(31)24(18-20)35-30(39)34-21-5-7-22(8-6-21)40-26-10-12-32-25-19-27(41-28(25)26)29(38)33-11-3-13-37-16-14-36(2)15-17-37/h4-10,12,18-19H,3,11,13-17H2,1-2H3,(H,33,38)(H2,34,35,39)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QCARBCGPQHFPOS-UHFFFAOYSA-N
|
||||||||||||||||||
| 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
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
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 |
|
|---|
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