General Information of the Compound
Compound ID |
CP0084971
|
||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Compound Name |
(3R)-N-(4-fluorophenyl)-1-[2-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]sulfanylanilino]-2-oxoethyl]pyrrolidine-3-carboxamide
Show/Hide
|
||||||||||||||||||
Structure |
|
||||||||||||||||||
Formula |
C29H28FN9O2S
|
||||||||||||||||||
Molecular Weight |
585.669
|
||||||||||||||||||
Canonical SMILES |
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@H](C4)C(=O)Nc4ccc(F)cc4)cc3)nn3cccc23)n[nH]1
Show/Hide
|
||||||||||||||||||
InChI |
InChI=1S/C29H28FN9O2S/c1-18-15-25(36-35-18)33-27-24-3-2-13-39(24)37-29(34-27)42-23-10-8-21(9-11-23)31-26(40)17-38-14-12-19(16-38)28(41)32-22-6-4-20(30)5-7-22/h2-11,13,15,19H,12,14,16-17H2,1H3,(H,31,40)(H,32,41)(H2,33,34,35,36,37)/t19-/m1/s1
Show/Hide
|
||||||||||||||||||
InChIKey |
AYHJBFRPPDPHQD-LJQANCHMSA-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