General Information of the Compound
| Compound ID |
CP0455411
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N3-(3,5-Di-tert- butylphenyl) furo[2,3-c] pyridine-2,3- diamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H27N3O
|
||||||||||||||||||
| Molecular Weight |
337.467
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)c1cc(Nc2c(N)oc3cnccc23)cc(c1)C(C)(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H27N3O/c1-20(2,3)13-9-14(21(4,5)6)11-15(10-13)24-18-16-7-8-23-12-17(16)25-19(18)22/h7-12,24H,22H2,1-6H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
MMKWGHZYOCTTDB-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