General Information of the Compound
| Compound ID |
CP0904825
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-3-(4-Chloro-3-fluoro-phenyl)-3-(cyclopropylmethyl-{4-[2-(2,5-dioxo-pyrrolidin-1-yl)-ethoxy]-3-methoxy-benzyl}-amino)-propionic acid hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H31Cl2FN2O6
|
||||||||||||||||||
| Molecular Weight |
569.457
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(CN(CC2CC2)[C@@H](CC(=O)O)c2ccc(Cl)c(F)c2)ccc1OCCN1C(=O)CCC1=O.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H30ClFN2O6.ClH/c1-36-24-12-18(4-7-23(24)37-11-10-31-25(32)8-9-26(31)33)16-30(15-17-2-3-17)22(14-27(34)35)19-5-6-20(28)21(29)13-19;/h4-7,12-13,17,22H,2-3,8-11,14-16H2,1H3,(H,34,35);1H/t22-;/m0./s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NSHIDLWOXCEUOM-FTBISJDPSA-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