General Information of the Compound
| Compound ID |
CP0535588
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8912224, 333
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H28N4O4S
|
||||||||||||||||||
| Molecular Weight |
492.601
|
||||||||||||||||||
| Canonical SMILES |
Cc1nc(Oc2ccc3OC(CCc3c2)c2ccccc2C)sc1C(=O)NCCN1CCNC1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H28N4O4S/c1-16-5-3-4-6-20(16)22-9-7-18-15-19(8-10-21(18)34-22)33-26-29-17(2)23(35-26)24(31)27-11-13-30-14-12-28-25(30)32/h3-6,8,10,15,22H,7,9,11-14H2,1-2H3,(H,27,31)(H,28,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BKQJHBHUBOKELE-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