General Information of the Compound
| Compound ID |
CP0389775
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N,N'-bis[3-[4-(3-chloro-11H-benzo[b][1,4]benzodiazepin-6-yl)piperazin-1-yl]propyl]icosanediamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C60H82Cl2N10O2
|
||||||||||||||||||
| Molecular Weight |
1046.29
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc2Nc3ccccc3C(=Nc2c1)N1CCN(CCCNC(=O)CCCCCCCCCCCCCCCCCCC(=O)NCCCN2CCN(CC2)C2=Nc3cc(Cl)ccc3Nc3ccccc23)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C60H82Cl2N10O2/c61-47-29-31-53-55(45-47)67-59(49-23-17-19-25-51(49)65-53)71-41-37-69(38-42-71)35-21-33-63-57(73)27-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-28-58(74)64-34-22-36-70-39-43-72(44-40-70)60-50-24-18-20-26-52(50)66-54-32-30-48(62)46-56(54)68-60/h17-20,23-26,29-32,45-46,65-66H,1-16,21-22,27-28,33-44H2,(H,63,73)(H,64,74)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KPOUJBUAQSEOJX-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