General Information of the Compound
| Compound ID |
CP0571188
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL5086374
Show/Hide
|
||||||||||||||||||
| Formula |
C19H21F3N6O
|
||||||||||||||||||
| Molecular Weight |
406.412
|
||||||||||||||||||
| Canonical SMILES |
N[C@H]1CC[C@H](CC1)Nc1nc(Nc2ccc3C(=O)NCc3c2)ncc1C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H21F3N6O/c20-19(21,22)15-9-25-18(28-16(15)26-12-3-1-11(23)2-4-12)27-13-5-6-14-10(7-13)8-24-17(14)29/h5-7,9,11-12H,1-4,8,23H2,(H,24,29)(H2,25,26,27,28)/t11-,12+
Show/Hide
|
||||||||||||||||||
| InChIKey |
USEARZGMRUHRRW-TXEJJXNPSA-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