General Information of the Compound
| Compound ID |
CP0884589
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
SID17407962
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H28FN3O2S
|
||||||||||||||||||
| Molecular Weight |
489.616
|
||||||||||||||||||
| Canonical SMILES |
O=C(NC1CCCCC1)C(c1cccs1)N(C(=O)Cc1c[nH]c2ccccc12)c1ccc(F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H28FN3O2S/c29-20-12-14-22(15-13-20)32(26(33)17-19-18-30-24-10-5-4-9-23(19)24)27(25-11-6-16-35-25)28(34)31-21-7-2-1-3-8-21/h4-6,9-16,18,21,27,30H,1-3,7-8,17H2,(H,31,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VORMGWQWGHROCU-UHFFFAOYSA-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