General Information of the Compound
| Compound ID |
CP0431589
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-2-amino-4-[(6,8-dichloro-9H-fluoren-2-yl)amino]-4-oxobutanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H14Cl2N2O3
|
||||||||||||||||||
| Molecular Weight |
365.216
|
||||||||||||||||||
| Canonical SMILES |
N[C@@H](CC(=O)Nc1ccc-2c(Cc3c-2cc(Cl)cc3Cl)c1)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H14Cl2N2O3/c18-9-5-12-11-2-1-10(21-16(22)7-15(20)17(23)24)3-8(11)4-13(12)14(19)6-9/h1-3,5-6,15H,4,7,20H2,(H,21,22)(H,23,24)/t15-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
UJOVSQYLMTYASM-HNNXBMFYSA-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
Protein ID: PT04012, Excitatory amino acid transporter 1
Protein ID: PT03541, Excitatory amino acid transporter 2
Protein ID: PT03879, Excitatory amino acid transporter 3