General Information of the Compound
| Compound ID |
CP0848860
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-({2-[2-(10,11-Dihydro-5H-dibenzo[b,f]azepin-5-yl)ethoxy]ethyl}amino)propanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H26N2O3
|
||||||||||||||||||
| Molecular Weight |
354.45
|
||||||||||||||||||
| Canonical SMILES |
O=C(O)CCNCCOCCN1c2ccccc2CCc2ccccc21
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H26N2O3/c24-21(25)11-12-22-13-15-26-16-14-23-19-7-3-1-5-17(19)9-10-18-6-2-4-8-20(18)23/h1-8,22H,9-16H2,(H,24,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KDPCOTMDCXYAMM-UHFFFAOYSA-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