General Information of the Compound
| Compound ID |
CP0430293
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[(S)-3-(1H-Indol-3-yl)-2-isobutoxycarbonylamino-propionylamino]-propionic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H25N3O5
|
||||||||||||||||||
| Molecular Weight |
375.425
|
||||||||||||||||||
| Canonical SMILES |
CC(C)COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCC(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H25N3O5/c1-12(2)11-27-19(26)22-16(18(25)20-8-7-17(23)24)9-13-10-21-15-6-4-3-5-14(13)15/h3-6,10,12,16,21H,7-9,11H2,1-2H3,(H,20,25)(H,22,26)(H,23,24)/t16-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XCQGMOCHWXBTKE-INIZCTEOSA-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