General Information of the Compound
| Compound ID |
CP0636303
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-ethyl-3,3,5-trimethyl-7-(3-((2-(pyridin-3-yl)benzyl)(2-(pyridin-3-yl)ethyl)amino)propoxy)-1H-benzo[b][1,4]diazepine-2,4(3H,5H)-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C36H41N5O3
|
||||||||||||||||||
| Molecular Weight |
591.756
|
||||||||||||||||||
| Canonical SMILES |
CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(CCc3cccnc3)Cc3ccccc3-c3cccnc3)ccc21
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C36H41N5O3/c1-5-41-32-16-15-30(23-33(32)39(4)34(42)36(2,3)35(41)43)44-22-10-20-40(21-17-27-11-8-18-37-24-27)26-29-12-6-7-14-31(29)28-13-9-19-38-25-28/h6-9,11-16,18-19,23-25H,5,10,17,20-22,26H2,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
HUIYSGLQEYEPFI-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