General Information of the Compound
| Compound ID |
CP0942369
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
methyl(2S)-1-(4-(3-(2-fluoro-3-(3,3,3-trifluoropropylsulfonamido)phenyl)-1-isopropyl-1H-pyrazol-4-yl)pyrimidin-2-ylamino)propan-2-ylcarbamate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H29F4N7O4S
|
||||||||||||||||||
| Molecular Weight |
587.6
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)N[C@@H](C)CNc1nccc(-c2cn(C(C)C)nc2-c2cccc(NS(=O)(=O)CCC(F)(F)F)c2F)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H29F4N7O4S/c1-14(2)35-13-17(18-8-10-29-22(32-18)30-12-15(3)31-23(36)39-4)21(33-35)16-6-5-7-19(20(16)25)34-40(37,38)11-9-24(26,27)28/h5-8,10,13-15,34H,9,11-12H2,1-4H3,(H,31,36)(H,29,30,32)/t15-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QZUSVJNVRNSDHR-HNNXBMFYSA-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