General Information of the Compound
| Compound ID |
CP0120735
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[(3R)-3-(2-hydroxyethoxy)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 |
C24H28N8O3S
|
||||||||||||||||||
| Molecular Weight |
508.608
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@H](C4)OCCO)cc3)nn3cccc23)n[nH]1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H28N8O3S/c1-16-13-21(29-28-16)26-23-20-3-2-9-32(20)30-24(27-23)36-19-6-4-17(5-7-19)25-22(34)15-31-10-8-18(14-31)35-12-11-33/h2-7,9,13,18,33H,8,10-12,14-15H2,1H3,(H,25,34)(H2,26,27,28,29,30)/t18-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
SIDSSTAVUKNHFG-GOSISDBHSA-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