General Information of the Compound
| Compound ID |
CP0493568
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-4-amino-2-[[4-[3-[(4-chloro-2,5-dimethylphenyl)sulfonylamino]phenyl]-2,6-dimethylbenzoyl]amino]butanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H30ClN3O5S
|
||||||||||||||||||
| Molecular Weight |
544.073
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(c(C)cc1Cl)S(=O)(=O)Nc1cccc(c1)-c1cc(C)c(C(=O)N[C@@H](CCN)C(O)=O)c(C)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H30ClN3O5S/c1-15-13-24(16(2)12-22(15)28)37(35,36)31-21-7-5-6-19(14-21)20-10-17(3)25(18(4)11-20)26(32)30-23(8-9-29)27(33)34/h5-7,10-14,23,31H,8-9,29H2,1-4H3,(H,30,32)(H,33,34)/t23-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GYNSPNKJOUPRON-QHCPKHFHSA-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