General Information of the Compound
| Compound ID |
CP0476817
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-2-(4-methoxy-2,3,6-trimethylphenylsulfonamido)-N-((S)-3-(naphthalen-2-yl)-1-oxo-1-(piperidin-1-yl)propan-2-yl)-3-phenylpropanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C37H43N3O5S
|
||||||||||||||||||
| Molecular Weight |
641.834
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(C)c(c(C)c1C)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N1CCCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C37H43N3O5S/c1-25-21-34(45-4)26(2)27(3)35(25)46(43,44)39-32(23-28-13-7-5-8-14-28)36(41)38-33(37(42)40-19-11-6-12-20-40)24-29-17-18-30-15-9-10-16-31(30)22-29/h5,7-10,13-18,21-22,32-33,39H,6,11-12,19-20,23-24H2,1-4H3,(H,38,41)/t32-,33-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XKMVXVURNWQHFT-LQJZCPKCSA-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