General Information of the Compound
| Compound ID |
CP0131026
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[5-(2-chloroanilino)-6-fluoroindazol-1-yl]-N-[(3S)-1-(trideuteriomethyl)pyrrolidin-3-yl]thiophene-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H21ClFN5OS
|
||||||||||||||||||
| Molecular Weight |
472.9913053
|
||||||||||||||||||
| Canonical SMILES |
[2H]C([2H])([2H])N1CC[C@@H](C1)NC(=O)c1cc(cs1)-n1ncc2cc(Nc3ccccc3Cl)c(F)cc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H21ClFN5OS/c1-29-7-6-15(12-29)27-23(31)22-9-16(13-32-22)30-21-10-18(25)20(8-14(21)11-26-30)28-19-5-3-2-4-17(19)24/h2-5,8-11,13,15,28H,6-7,12H2,1H3,(H,27,31)/t15-/m0/s1/i1D3
Show/Hide
|
||||||||||||||||||
| InChIKey |
VYNVVWLFRMWZRV-VSLDJYOXSA-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