General Information of the Compound
| Compound ID |
CP0271602
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[(3S,4R)-3-(4-fluorophenoxy)-4-hydroxypyrrolidin-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 |
C28H27FN8O3S
|
||||||||||||||||||
| Molecular Weight |
574.642
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@@H](O)[C@H](C4)Oc4ccc(F)cc4)cc3)nn3cccc23)n[nH]1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H27FN8O3S/c1-17-13-25(34-33-17)31-27-22-3-2-12-37(22)35-28(32-27)41-21-10-6-19(7-11-21)30-26(39)16-36-14-23(38)24(15-36)40-20-8-4-18(29)5-9-20/h2-13,23-24,38H,14-16H2,1H3,(H,30,39)(H2,31,32,33,34,35)/t23-,24+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MQWHYEKERKXFQY-RPWUZVMVSA-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