General Information of the Compound
| Compound ID |
CP0900166
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[2-[2-[2-[2-[3-oxo-3-[2-[2-[2-[[4-[2-(1-piperidyl)indan-1-yl]oxyphenyl]sulfonylamino]ethoxy]ethoxy]ethylamino]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[2-[2-[2-[[4-[2-(1-piperidyl)indan-1-yl]oxyphenyl]sulfonylamino]ethoxy]ethoxy]ethyl]propanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C66H96N6O17S2
|
||||||||||||||||||
| Molecular Weight |
1309.653
|
||||||||||||||||||
| Canonical SMILES |
O=C(CCOCCOCCOCCOCCOCCC(=O)NCCOCCOCCNS(=O)(=O)c1ccc(OC2c3ccccc3CC2N2CCCCC2)cc1)NCCOCCOCCNS(=O)(=O)c1ccc(OC2c3ccccc3CC2N2CCCCC2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C66H96N6O17S2/c73-63(67-25-35-81-41-43-83-37-27-69-90(75,76)57-19-15-55(16-20-57)88-65-59-13-5-3-11-53(59)51-61(65)71-29-7-1-8-30-71)23-33-79-39-45-85-47-49-87-50-48-86-46-40-80-34-24-64(74)68-26-36-82-42-44-84-38-28-70-91(77,78)58-21-17-56(18-22-58)89-66-60-14-6-4-12-54(60)52-62(66)72-31-9-2-10-32-72/h3-6,11-22,61-62,65-66,69-70H,1-2,7-10,23-52H2,(H,67,73)(H,68,74)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ACZVRDRQUJMSJF-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
Protein ID: PT03762, Sodium/hydrogen exchanger 3
Protein ID: PT04309, Sodium/hydrogen exchanger 3