General Information of the Compound
| Compound ID |
CP0011744
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(2S,3S)-3-amino-2-hydroxy-3-phenylpropyl]-3,4-dichloro-N-(2-methylpropyl)benzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Formula |
C19H24Cl2N2O3S
|
||||||||||||||||||
| Molecular Weight |
431.385
|
||||||||||||||||||
| Canonical SMILES |
CC(C)CN(C[C@H](O)[C@@H](N)c1ccccc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H24Cl2N2O3S/c1-13(2)11-23(12-18(24)19(22)14-6-4-3-5-7-14)27(25,26)15-8-9-16(20)17(21)10-15/h3-10,13,18-19,24H,11-12,22H2,1-2H3/t18-,19-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YZSHYKDKXBISOU-OALUTQOASA-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 | |||||||||||||||||||
| 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
Protein ID: PT00853, Renin
Protein ID: PT06790, Signal peptide peptidase-like 2A