General Information of the Compound
| Compound ID |
CP0544847
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[1-[2-(4-methylphenyl)ethyl]-2-oxo-3-propan-2-yl-4,5-dihydro-3H-1,4-benzodiazepin-7-yl] pentanoate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H34N2O3
|
||||||||||||||||||
| Molecular Weight |
422.569
|
||||||||||||||||||
| Canonical SMILES |
CCCCC(=O)Oc1ccc2N(CCc3ccc(C)cc3)C(=O)C(NCc2c1)C(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H34N2O3/c1-5-6-7-24(29)31-22-12-13-23-21(16-22)17-27-25(18(2)3)26(30)28(23)15-14-20-10-8-19(4)9-11-20/h8-13,16,18,25,27H,5-7,14-15,17H2,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
RVLUARZXTCHTGG-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 | |||||||||||||||||||
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