General Information of the Compound
| Compound ID |
CP0572107
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL5085950
Show/Hide
|
||||||||||||||||||
| Formula |
C18H20F3N5O2
|
||||||||||||||||||
| Molecular Weight |
395.385
|
||||||||||||||||||
| Canonical SMILES |
NC(=O)c1ccc(Nc2ncc(c(N[C@H]3CC[C@H](O)CC3)n2)C(F)(F)F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H20F3N5O2/c19-18(20,21)14-9-23-17(25-12-3-1-10(2-4-12)15(22)28)26-16(14)24-11-5-7-13(27)8-6-11/h1-4,9,11,13,27H,5-8H2,(H2,22,28)(H2,23,24,25,26)/t11-,13-
Show/Hide
|
||||||||||||||||||
| InChIKey |
LKMNVWCDUCOIDP-AULYBMBSSA-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