General Information of the Compound
| Compound ID |
CP0885471
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(R)-5-(2-{1-[4-(2,4-Dioxo-thiazolidin-5-ylmethyl)-phenyl]-piperidin-4-ylamino}-1-hydroxy-ethoxy)-2-hydroxy-phenyl]-benzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H32N4O7S2
|
||||||||||||||||||
| Molecular Weight |
612.73
|
||||||||||||||||||
| Canonical SMILES |
O=C1NC(=O)C(Cc2ccc(N3CCC(NC[C@H](O)Oc4ccc(O)c(NS(=O)(=O)c5ccccc5)c4)CC3)cc2)S1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H32N4O7S2/c34-25-11-10-22(17-24(25)32-42(38,39)23-4-2-1-3-5-23)40-27(35)18-30-20-12-14-33(15-13-20)21-8-6-19(7-9-21)16-26-28(36)31-29(37)41-26/h1-11,17,20,26-27,30,32,34-35H,12-16,18H2,(H,31,36,37)/t26?,27-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FIDRIQSPUFCEKZ-SSYAZFEXSA-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