General Information of the Compound
| Compound ID |
CP0510991
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-2-[(2-indol-1-ylacetyl)amino]-4-methylpentanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H20N2O3
|
||||||||||||||||||
| Molecular Weight |
288.347
|
||||||||||||||||||
| Canonical SMILES |
CC(C)C[C@H](NC(=O)Cn1ccc2ccccc12)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H20N2O3/c1-11(2)9-13(16(20)21)17-15(19)10-18-8-7-12-5-3-4-6-14(12)18/h3-8,11,13H,9-10H2,1-2H3,(H,17,19)(H,20,21)/t13-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
UFQHMZVWLNAKFG-ZDUSSCGKSA-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