General Information of the Compound
| Compound ID |
CP0123313
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-2-Dimethylamino-3-(1H-indol-3-yl)-propionic acid 3,5-dimethyl-benzyl ester
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H26N2O2
|
||||||||||||||||||
| Molecular Weight |
350.462
|
||||||||||||||||||
| Canonical SMILES |
CN(C)[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(C)cc(C)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H26N2O2/c1-15-9-16(2)11-17(10-15)14-26-22(25)21(24(3)4)12-18-13-23-20-8-6-5-7-19(18)20/h5-11,13,21,23H,12,14H2,1-4H3/t21-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
SCUCGLNZVOAIMC-NRFANRHFSA-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