General Information of the Compound
| Compound ID |
CP0493869
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-aminobutyl N-[(2S)-1-(2-hydroxyethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H26N4O4
|
||||||||||||||||||
| Molecular Weight |
362.43
|
||||||||||||||||||
| Canonical SMILES |
NCCCCOC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCO
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H26N4O4/c19-7-3-4-10-26-18(25)22-16(17(24)20-8-9-23)11-13-12-21-15-6-2-1-5-14(13)15/h1-2,5-6,12,16,21,23H,3-4,7-11,19H2,(H,20,24)(H,22,25)/t16-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
WGYIPTWJEOFZSQ-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