General Information of the Compound
| Compound ID |
CP0509655
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(7R,8R)-8-[(4-tert-butylphenyl)sulfonylamino]-7-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-3-methoxybenzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H32N2O5S
|
||||||||||||||||||
| Molecular Weight |
508.64
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(c1)C(=O)Nc1ccc2CC[C@@H](O)[C@H](NS(=O)(=O)c3ccc(cc3)C(C)(C)C)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H32N2O5S/c1-28(2,3)20-10-13-23(14-11-20)36(33,34)30-26-24-17-21(12-8-18(24)9-15-25(26)31)29-27(32)19-6-5-7-22(16-19)35-4/h5-8,10-14,16-17,25-26,30-31H,9,15H2,1-4H3,(H,29,32)/t25-,26-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DZLOLQBOFITCTA-CLJLJLNGSA-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