General Information of the Compound
| Compound ID |
CP0252947
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[(2S,4R)-4-tert-butylsulfanyl-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]sulfanylphenyl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H34N8O2S2
|
||||||||||||||||||
| Molecular Weight |
566.757
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@@H](C[C@H]4CO)SC(C)(C)C)cc3)nn3cccc23)n[nH]1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H34N8O2S2/c1-17-12-23(32-31-17)29-25-22-6-5-11-35(22)33-26(30-25)38-20-9-7-18(8-10-20)28-24(37)15-34-14-21(13-19(34)16-36)39-27(2,3)4/h5-12,19,21,36H,13-16H2,1-4H3,(H,28,37)(H2,29,30,31,32,33)/t19-,21+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
LJTYFOPORRMVFP-PZJWPPBQSA-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