General Information of the Compound
| Compound ID |
CP0910643
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)-3-((3-(pyridin-4-yl)-1H-indazol-6-yl)thio)propanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H29F3N6OS
|
||||||||||||||||||
| Molecular Weight |
554.642
|
||||||||||||||||||
| Canonical SMILES |
CN1CCN(Cc2ccc(NC(=O)CCSc3ccc4c(-c5ccncc5)n[nH]c4c3)cc2C(F)(F)F)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H29F3N6OS/c1-36-11-13-37(14-12-36)18-20-2-3-21(16-24(20)28(29,30)31)33-26(38)8-15-39-22-4-5-23-25(17-22)34-35-27(23)19-6-9-32-10-7-19/h2-7,9-10,16-17H,8,11-15,18H2,1H3,(H,33,38)(H,34,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
AHRARXNZGWJVLI-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: PT00934, High affinity nerve growth factor receptor
Protein ID: PT00864, Vascular endothelial growth factor receptor 2