General Information of the Compound
| Compound ID |
CP0908501
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
SID103159064
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H22N2O3S
|
||||||||||||||||||
| Molecular Weight |
394.496
|
||||||||||||||||||
| Canonical SMILES |
CC1(C(=O)NCc2ccc3c(c2)OCO3)CCN1Cc1csc2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H22N2O3S/c1-22(21(25)23-11-15-6-7-18-19(10-15)27-14-26-18)8-9-24(22)12-16-13-28-20-5-3-2-4-17(16)20/h2-7,10,13H,8-9,11-12,14H2,1H3,(H,23,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WSSBPNPPWQAHCC-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