General Information of the Compound
| Compound ID |
CP0378227
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]-4-[(4-octyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C34H43N3O3S2
|
||||||||||||||||||
| Molecular Weight |
605.87
|
||||||||||||||||||
| Canonical SMILES |
CCCCCCCCc1csc(Cc2ccc(cc2)S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3ccccc3)cc2)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H43N3O3S2/c1-2-3-4-5-6-10-13-31-26-41-34(36-31)24-28-16-20-32(21-17-28)42(39,40)37-30-18-14-27(15-19-30)22-23-35-25-33(38)29-11-8-7-9-12-29/h7-9,11-12,14-21,26,33,35,37-38H,2-6,10,13,22-25H2,1H3/t33-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GQJNHLVQRZFRES-XIFFEERXSA-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