General Information of the Compound
| Compound ID |
CP0947362
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
methyl(2S)-1-(4-(3-(5-chloro-3-(cyclopropanesulfonamido)-2-fluorophenyl)-1-isopropyl-1H-pyrazol-4-yl)pyrimidin-2-ylamino)propan-2-ylcarbamate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H29ClFN7O4S
|
||||||||||||||||||
| Molecular Weight |
566.059
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)N[C@@H](C)CNc1nccc(-c2cn(C(C)C)nc2-c2cc(Cl)cc(NS(=O)(=O)C3CC3)c2F)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H29ClFN7O4S/c1-13(2)33-12-18(19-7-8-27-23(30-19)28-11-14(3)29-24(34)37-4)22(31-33)17-9-15(25)10-20(21(17)26)32-38(35,36)16-5-6-16/h7-10,12-14,16,32H,5-6,11H2,1-4H3,(H,29,34)(H,27,28,30)/t14-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GVJFWGLLYQAPCL-AWEZNQCLSA-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