General Information of the Compound
| Compound ID |
CP0247370
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-6-fluoro-4-methoxyindazol-1-yl]methyl]phenyl]methyl]-2-hydroxy-2-methylpropanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H24ClFN4O5S2
|
||||||||||||||||||
| Molecular Weight |
567.064
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(F)cc2n(Cc3cccc(CNC(=O)C(C)(C)O)c3)nc(NS(=O)(=O)c3ccc(Cl)s3)c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H24ClFN4O5S2/c1-24(2,32)23(31)27-12-14-5-4-6-15(9-14)13-30-17-10-16(26)11-18(35-3)21(17)22(28-30)29-37(33,34)20-8-7-19(25)36-20/h4-11,32H,12-13H2,1-3H3,(H,27,31)(H,28,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BTSOAFGYNROARI-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