General Information of the Compound
| Compound ID |
CP0554110
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9394293, G155b
Show/Hide
|
||||||||||||||||||
| Synonyms |
PMID25666693-Compound-101
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H18FN3O3S
|
||||||||||||||||||
| Molecular Weight |
423.469
|
||||||||||||||||||
| Canonical SMILES |
OC[C@@H](O)Cc1cnc(c(F)c1)-c1ccc(cc1)C(=O)Nc1nc2ccccc2s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H18FN3O3S/c23-17-10-13(9-16(28)12-27)11-24-20(17)14-5-7-15(8-6-14)21(29)26-22-25-18-3-1-2-4-19(18)30-22/h1-8,10-11,16,27-28H,9,12H2,(H,25,26,29)/t16-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
AMBUADZXQKAOQQ-INIZCTEOSA-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
Clinical Information about the Compound