General Information of the Compound
| Compound ID |
CP0579777
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2-[2-[2-[[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethyl]-3-[2-[2-[2-[[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethylamino]-2,3-dihydroxypropanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C47H60Cl4N6O11S2
|
||||||||||||||||||
| Molecular Weight |
1090.974
|
||||||||||||||||||
| Canonical SMILES |
CN1CC(c2cccc(c2)S(=O)(=O)NCCOCCOCCNC(O)C(O)C(=O)NCCOCCOCCNS(=O)(=O)c2cccc(c2)C2CN(C)Cc3c(Cl)cc(Cl)cc23)c2cc(Cl)cc(Cl)c2C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C47H60Cl4N6O11S2/c1-56-27-39(37-23-33(48)25-43(50)41(37)29-56)31-5-3-7-35(21-31)69(61,62)54-11-15-67-19-17-65-13-9-52-46(59)45(58)47(60)53-10-14-66-18-20-68-16-12-55-70(63,64)36-8-4-6-32(22-36)40-28-57(2)30-42-38(40)24-34(49)26-44(42)51/h3-8,21-26,39-40,45-46,52,54-55,58-59H,9-20,27-30H2,1-2H3,(H,53,60)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FCOGGRDTJHDYTB-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
Protein ID: PT03762, Sodium/hydrogen exchanger 3
Protein ID: PT04309, Sodium/hydrogen exchanger 3