General Information of the Compound
| Compound ID |
CP0013292
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(2S,3S)-3-amino-2-hydroxy-3-phenylpropyl]-3,4-dichloro-N-cyclobutylbenzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Formula |
C19H22Cl2N2O3S
|
||||||||||||||||||
| Molecular Weight |
429.369
|
||||||||||||||||||
| Canonical SMILES |
N[C@H]([C@@H](O)CN(C1CCC1)S(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H22Cl2N2O3S/c20-16-10-9-15(11-17(16)21)27(25,26)23(14-7-4-8-14)12-18(24)19(22)13-5-2-1-3-6-13/h1-3,5-6,9-11,14,18-19,24H,4,7-8,12,22H2/t18-,19-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ARWOPOLXQPLTLP-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