General Information of the Compound
| Compound ID |
CP0544949
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-[1-[3-(4-ethylpiperazin-1-yl)propyl]-3,4-dihydro-2H-1,5-benzodiazepine-5-carbonyl]phenyl]-2-phenylbenzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C38H43N5O2
|
||||||||||||||||||
| Molecular Weight |
601.795
|
||||||||||||||||||
| Canonical SMILES |
CCN1CCN(CCCN2CCCN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3)c3ccccc23)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C38H43N5O2/c1-2-40-26-28-41(29-27-40)22-10-23-42-24-11-25-43(36-17-9-8-16-35(36)42)38(45)31-18-20-32(21-19-31)39-37(44)34-15-7-6-14-33(34)30-12-4-3-5-13-30/h3-9,12-21H,2,10-11,22-29H2,1H3,(H,39,44)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GGOOYOFDSPJDBT-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