General Information of the Compound
| Compound ID |
CP0829282
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-3-(4-chloro-3-fluorophenyl)-3-((cyclopropylmethyl)(4-(2-(2,5-dioxopyrrolidin-1-yl)ethoxy)-3-fluorobenzyl)amino)propanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H28Cl2F2N2O5
|
||||||||||||||||||
| Molecular Weight |
557.421
|
||||||||||||||||||
| Canonical SMILES |
Cl.O=C(O)C[C@@H](c1ccc(Cl)c(F)c1)N(Cc1ccc(OCCN2C(=O)CCC2=O)c(F)c1)CC1CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H27ClF2N2O5.ClH/c27-19-5-4-18(12-20(19)28)22(13-26(34)35)30(14-16-1-2-16)15-17-3-6-23(21(29)11-17)36-10-9-31-24(32)7-8-25(31)33;/h3-6,11-12,16,22H,1-2,7-10,13-15H2,(H,34,35);1H/t22-;/m0./s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZVXKOUUBHIUAEI-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