General Information of the Compound
| Compound ID |
CP0139330
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(2R)-2,3-dihydroxypropoxy]-4-(2-fluoro-4-iodoanilino)-1H-indazole-5-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H16FIN4O4
|
||||||||||||||||||
| Molecular Weight |
486.241
|
||||||||||||||||||
| Canonical SMILES |
OC[C@@H](O)CONC(=O)c1ccc2[nH]ncc2c1Nc1ccc(I)cc1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H16FIN4O4/c18-13-5-9(19)1-3-15(13)21-16-11(2-4-14-12(16)6-20-22-14)17(26)23-27-8-10(25)7-24/h1-6,10,21,24-25H,7-8H2,(H,20,22)(H,23,26)/t10-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GSFYVLMDLFXESB-SNVBAGLBSA-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: PT01080, Dual specificity mitogen-activated protein kinase kinase 1
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000045 | A-375 | Homo sapiens (Human) | 1 |
| 1 |
EC50 = 12 nM
|
TI
LI
LO
TS
|
|
|---|---|---|---|