General Information of the Compound
| Compound ID |
CP0379227
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
Benzenesulfonic acid 3-{(R)-1-hydroxy-2-[(R)-2-(7-methanesulfonyloxy-1H-indol-3-yl)-1-methyl-ethylamino]-ethyl}-phenyl ester
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H28N2O7S2
|
||||||||||||||||||
| Molecular Weight |
544.651
|
||||||||||||||||||
| Canonical SMILES |
C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(OS(=O)(=O)c2ccccc2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H28N2O7S2/c1-18(14-20-16-28-26-23(20)12-7-13-25(26)35-36(2,30)31)27-17-24(29)19-8-6-9-21(15-19)34-37(32,33)22-10-4-3-5-11-22/h3-13,15-16,18,24,27-29H,14,17H2,1-2H3/t18-,24+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
PGIVEOHZAMQLKP-KOSHJBKYSA-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