General Information of the Compound
| Compound ID |
CP0401989
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1R,2R)-1-amino-1-(6-tert-butyl-1H-benzimidazol-2-yl)-3-methylbutan-2-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H25N3O
|
||||||||||||||||||
| Molecular Weight |
275.396
|
||||||||||||||||||
| Canonical SMILES |
CC(C)[C@@H](O)[C@H](N)c1nc2cc(ccc2[nH]1)C(C)(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H25N3O/c1-9(2)14(20)13(17)15-18-11-7-6-10(16(3,4)5)8-12(11)19-15/h6-9,13-14,20H,17H2,1-5H3,(H,18,19)/t13-,14+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XOHUNAFRBUTASI-UONOGXRCSA-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