General Information of the Compound
| Compound ID |
CP0560673
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8912224, 336
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H26N2O4S
|
||||||||||||||||||
| Molecular Weight |
450.56
|
||||||||||||||||||
| Canonical SMILES |
Cc1nc(Oc2ccc3OC(CCc3c2)c2ccccc2C)sc1C(=O)N1CC[C@@H](O)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H26N2O4S/c1-15-5-3-4-6-20(15)22-9-7-17-13-19(8-10-21(17)31-22)30-25-26-16(2)23(32-25)24(29)27-12-11-18(28)14-27/h3-6,8,10,13,18,22,28H,7,9,11-12,14H2,1-2H3/t18-,22?/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YYDRNHUFUAYSJK-ZZWBGTBQSA-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