General Information of the Compound
| Compound ID |
CP0900167
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[2-[2-[2-[2-[3-oxo-3-[2-[2-[2-[2-[[4-[2-(1-piperidyl)indan-1-yl]oxyphenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethylamino]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[2-[2-[2-[2-[[4-[2-(1-piperidyl)indan-1-yl]oxyphenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]propanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C70H104N6O19S2
|
||||||||||||||||||
| Molecular Weight |
1397.759
|
||||||||||||||||||
| Canonical SMILES |
O=C(CCOCCOCCOCCOCCOCCC(=O)NCCOCCOCCOCCNS(=O)(=O)c1ccc(OC2c3ccccc3CC2N2CCCCC2)cc1)NCCOCCOCCOCCNS(=O)(=O)c1ccc(OC2c3ccccc3CC2N2CCCCC2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C70H104N6O19S2/c77-67(71-25-35-85-41-47-91-49-43-87-37-27-73-96(79,80)61-19-15-59(16-20-61)94-69-63-13-5-3-11-57(63)55-65(69)75-29-7-1-8-30-75)23-33-83-39-45-89-51-53-93-54-52-90-46-40-84-34-24-68(78)72-26-36-86-42-48-92-50-44-88-38-28-74-97(81,82)62-21-17-60(18-22-62)95-70-64-14-6-4-12-58(64)56-66(70)76-31-9-2-10-32-76/h3-6,11-22,65-66,69-70,73-74H,1-2,7-10,23-56H2,(H,71,77)(H,72,78)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VNLFBTVNBSRLST-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: PT04309, Sodium/hydrogen exchanger 3
Protein ID: PT03762, Sodium/hydrogen exchanger 3