General Information of the Compound
| Compound ID |
CP0939181
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-tert-butyl-7-p-tolyl-2,3-dihydro-1H-1,4-diazepin-5-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H23N3
|
||||||||||||||||||
| Molecular Weight |
257.381
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(C2=CC(NC(C)(C)C)=NCCN2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H23N3/c1-12-5-7-13(8-6-12)14-11-15(18-10-9-17-14)19-16(2,3)4/h5-8,11,17H,9-10H2,1-4H3,(H,18,19)
Show/Hide
|
||||||||||||||||||
| InChIKey |
IFEOHSTXNWWLJY-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