General Information of the Compound
| Compound ID |
CP0545137
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3,4-dichloro-N-[4-[1-(3-morpholin-4-ylpropyl)-3,4-dihydro-2H-1,5-benzodiazepine-5-carbonyl]phenyl]benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H32Cl2N4O3
|
||||||||||||||||||
| Molecular Weight |
567.517
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc(cc1Cl)C(=O)Nc1ccc(cc1)C(=O)N1CCCN(CCCN2CCOCC2)c2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H32Cl2N4O3/c31-25-12-9-23(21-26(25)32)29(37)33-24-10-7-22(8-11-24)30(38)36-16-4-15-35(27-5-1-2-6-28(27)36)14-3-13-34-17-19-39-20-18-34/h1-2,5-12,21H,3-4,13-20H2,(H,33,37)
Show/Hide
|
||||||||||||||||||
| InChIKey |
IZMOKHJRMSOJQV-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