General Information of the Compound
| Compound ID |
CP0551833
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-2-[[4-[(4-fluorophenyl)sulfonyl-(2-pyrrolidin-1-ylethyl)amino]benzoyl]-methylamino]-3-phenylpropanoic acid
Show/Hide
|
||||||||||||||||||
| Formula |
C29H32FN3O5S
|
||||||||||||||||||
| Molecular Weight |
553.656
|
||||||||||||||||||
| Canonical SMILES |
CN([C@@H](Cc1ccccc1)C(O)=O)C(=O)c1ccc(cc1)N(CCN1CCCC1)S(=O)(=O)c1ccc(F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H32FN3O5S/c1-31(27(29(35)36)21-22-7-3-2-4-8-22)28(34)23-9-13-25(14-10-23)33(20-19-32-17-5-6-18-32)39(37,38)26-15-11-24(30)12-16-26/h2-4,7-16,27H,5-6,17-21H2,1H3,(H,35,36)/t27-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
SESRJRLBHQWLSW-MHZLTWQESA-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 | |||||||||||||||||||