General Information of the Compound
| Compound ID |
CP0529330
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8912224, 340
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H23N3O4S
|
||||||||||||||||||
| Molecular Weight |
425.51
|
||||||||||||||||||
| Canonical SMILES |
N[C@@H](CO)C(=O)NCc1cnc(Oc2ccc3OC(CCc3c2)c2ccccc2)s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H23N3O4S/c23-18(13-26)21(27)24-11-17-12-25-22(30-17)28-16-7-9-20-15(10-16)6-8-19(29-20)14-4-2-1-3-5-14/h1-5,7,9-10,12,18-19,26H,6,8,11,13,23H2,(H,24,27)/t18-,19?/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FZDMUUFTHHCESX-OYKVQYDMSA-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