General Information of the Compound
| Compound ID |
CP0951801
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1,5,11-triazacyclotetradecanyl[4-(1,5,11-triazacyclotetradecanylmethyl)phenyl]methane ;hexahydrobromide;5hydrate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H57BrN6
|
||||||||||||||||||
| Molecular Weight |
581.732
|
||||||||||||||||||
| Canonical SMILES |
Br.c1cc(CN2CCCNCCCCCNCCC2)ccc1CN1CCCNCCCCCNCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H56N6.BrH/c1-3-15-31-19-7-23-35(24-8-20-32-16-4-1)27-29-11-13-30(14-12-29)28-36-25-9-21-33-17-5-2-6-18-34-22-10-26-36;/h11-14,31-34H,1-10,15-28H2;1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
CRSYHCZAGQGVNY-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