General Information of the Compound
| Compound ID |
CP0438947
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(2-Amino-ethyl)-1-(3-amino-propyl)-7-dibenzylamino-5-phenyl-1,3-dihydro-benzo[e][1,4]diazepin-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C34H37N5O
|
||||||||||||||||||
| Molecular Weight |
531.704
|
||||||||||||||||||
| Canonical SMILES |
NCCCN1c2ccc(cc2C(=NC(CCN)C1=O)c1ccccc1)N(Cc1ccccc1)Cc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H37N5O/c35-20-10-22-39-32-18-17-29(38(24-26-11-4-1-5-12-26)25-27-13-6-2-7-14-27)23-30(32)33(28-15-8-3-9-16-28)37-31(19-21-36)34(39)40/h1-9,11-18,23,31H,10,19-22,24-25,35-36H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZSXXLRCQJZBXSP-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