General Information of the Compound
| Compound ID |
CP0407358
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9273043, A126(a)
Show/Hide
|
||||||||||||||||||
| Synonyms |
PMID25666693-Compound-99
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H24FN5O3S
|
||||||||||||||||||
| Molecular Weight |
445.52
|
||||||||||||||||||
| Canonical SMILES |
C[C@H]1CN(CCN1C(=O)Nc1nc2ccc(C)cc2s1)c1ncc(cc1F)[C@H](O)CO
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H24FN5O3S/c1-12-3-4-16-18(7-12)31-20(24-16)25-21(30)27-6-5-26(10-13(27)2)19-15(22)8-14(9-23-19)17(29)11-28/h3-4,7-9,13,17,28-29H,5-6,10-11H2,1-2H3,(H,24,25,30)/t13-,17+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MOYYIRTYGZTKTA-SUMWQHHRSA-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
Drug 1 ( PMID25666693-Compound-99 )
| Drug Name | PMID25666693-Compound-99 | ||
|---|---|---|---|
| Company | PURDUE PHARMA LP [USSHIONOGI & CO [JPTAFESSE LAYKEA [USANDO SHIGERU [JPKUROSE NORIYUKI [JP] | ||
| Indication | |||
| Target(s) | |||