General Information of the Compound
| Compound ID |
CP0489420
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL5086431
Show/Hide
|
||||||||||||||||||
| Formula |
C19H23F3N6O
|
||||||||||||||||||
| Molecular Weight |
408.428
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)Nc1ccc(Nc2ncc(c(N[C@@H]3CC[C@H](N)CC3)n2)C(F)(F)F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H23F3N6O/c1-11(29)25-13-6-8-15(9-7-13)27-18-24-10-16(19(20,21)22)17(28-18)26-14-4-2-12(23)3-5-14/h6-10,12,14H,2-5,23H2,1H3,(H,25,29)(H2,24,26,27,28)/t12-,14+
Show/Hide
|
||||||||||||||||||
| InChIKey |
QXSHKYVXNYQFFB-XBXGTLAGSA-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 | |||||||||||||||||||
| 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
Protein ID: PT00888, Mast/stem cell growth factor receptor Kit
Protein ID: PT01204, Receptor-type tyrosine-protein kinase FLT3