General Information of the Compound
| Compound ID |
CP0899727
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2R,4S)-2-benzyl-5-(4-sec-butoxyphenylsulfonamido)-4-hydroxy-N-((1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl)pentanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H38N2O6S
|
||||||||||||||||||
| Molecular Weight |
566.72
|
||||||||||||||||||
| Canonical SMILES |
CCC(C)Oc1ccc(S(=O)(=O)NC[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)N[C@H]2c3ccccc3C[C@H]2O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H38N2O6S/c1-3-21(2)39-26-13-15-27(16-14-26)40(37,38)32-20-25(34)18-24(17-22-9-5-4-6-10-22)31(36)33-30-28-12-8-7-11-23(28)19-29(30)35/h4-16,21,24-25,29-30,32,34-35H,3,17-20H2,1-2H3,(H,33,36)/t21?,24-,25+,29-,30+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QATBRHSIYIHRGK-RTVWITRPSA-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