General Information of the Compound
| Compound ID |
CP0881765
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
15-chloro-3,7,11,17-tetraazabicyclo[11.3.1]heptadeca-1(16),13(17),14-trien-7-yl{4-[15-chloro-3,7,11,17-tetraazabicyclo[11.3.1]heptadeca-1(16),13(17),14-trien-7-ylmethyl]phenyl}methane;hexahydrobromide;acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C36H53BrCl2N8O2
|
||||||||||||||||||
| Molecular Weight |
780.684
|
||||||||||||||||||
| Canonical SMILES |
Br.CC(=O)O.Clc1cc2nc(c1)CNCCCN(Cc1ccc(CN3CCCNCc4cc(Cl)cc(n4)CNCCC3)cc1)CCCNC2
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H48Cl2N8.C2H4O2.BrH/c35-29-17-31-21-37-9-1-13-43(14-2-10-38-22-32(18-29)41-31)25-27-5-7-28(8-6-27)26-44-15-3-11-39-23-33-19-30(36)20-34(42-33)24-40-12-4-16-44;1-2(3)4;/h5-8,17-20,37-40H,1-4,9-16,21-26H2;1H3,(H,3,4);1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
XAFAFIDFJLMEMK-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