General Information of the Compound
| Compound ID |
CP0493221
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]-4-[[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]methyl]benzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C34H32N4O3S2
|
||||||||||||||||||
| Molecular Weight |
608.789
|
||||||||||||||||||
| Canonical SMILES |
O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(Cc3nc(cs3)-c3c[nH]c4ccccc34)cc2)cc1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H32N4O3S2/c39-33(26-6-2-1-3-7-26)22-35-19-18-24-10-14-27(15-11-24)38-43(40,41)28-16-12-25(13-17-28)20-34-37-32(23-42-34)30-21-36-31-9-5-4-8-29(30)31/h1-17,21,23,33,35-36,38-39H,18-20,22H2/t33-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MBGAQQRKPBSLSM-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