General Information of the Compound
| Compound ID |
CP0404075
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(3,4-dimethylphenyl)methyl]-2-[3-[(2R)-2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(methanesulfonamido)phenyl]ethyl]amino]propyl]phenyl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H37N3O5S
|
||||||||||||||||||
| Molecular Weight |
539.698
|
||||||||||||||||||
| Canonical SMILES |
C[C@H](Cc1cccc(CC(=O)NCc2ccc(C)c(C)c2)c1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H37N3O5S/c1-19-8-9-24(12-20(19)2)17-31-29(35)15-23-7-5-6-22(14-23)13-21(3)30-18-28(34)25-10-11-27(33)26(16-25)32-38(4,36)37/h5-12,14,16,21,28,30,32-34H,13,15,17-18H2,1-4H3,(H,31,35)/t21-,28+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XCDHVLSPYCOLFS-PIKZIKFNSA-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