General Information of the Compound
| Compound ID |
CP0492969
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1R,2S)-2-[amino(methyl)amino]-1-phenylbutan-1-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C11H18N2O
|
||||||||||||||||||
| Molecular Weight |
194.278
|
||||||||||||||||||
| Canonical SMILES |
CC[C@@H]([C@H](O)c1ccccc1)N(C)N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C11H18N2O/c1-3-10(13(2)12)11(14)9-7-5-4-6-8-9/h4-8,10-11,14H,3,12H2,1-2H3/t10-,11+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YPJWGOTXAACRLN-WDEREUQCSA-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