General Information of the Compound
| Compound ID |
CP0577524
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-[1-(4-morpholin-4-ylbutyl)-3,4-dihydro-2H-1,5-benzodiazepine-5-carbonyl]phenyl]-2-phenylbenzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C37H40N4O3
|
||||||||||||||||||
| Molecular Weight |
588.752
|
||||||||||||||||||
| Canonical SMILES |
O=C(Nc1ccc(cc1)C(=O)N1CCCN(CCCCN2CCOCC2)c2ccccc12)c1ccccc1-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C37H40N4O3/c42-36(33-14-5-4-13-32(33)29-11-2-1-3-12-29)38-31-19-17-30(18-20-31)37(43)41-24-10-23-40(34-15-6-7-16-35(34)41)22-9-8-21-39-25-27-44-28-26-39/h1-7,11-20H,8-10,21-28H2,(H,38,42)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HNAIMJIAWHORGP-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