General Information of the Compound
| Compound ID |
CP0501765
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-{2-[2-(2-{2-[2-(2-{2-[4-(3,5-dioxo-hexyl)-phenylcarbamoyl]-ethoxy}-ethoxy)-ethoxy]-ethoxy}-ethoxy)-ethoxy]-ethoxy}-N-[2'-(isoxazol-5-ylsulfamoyl)-4-oxazol-2-yl-biphenyl-2-ylmethyl]-N-methyl-propionamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C50H63N5O15S
|
||||||||||||||||||
| Molecular Weight |
1006.141
|
||||||||||||||||||
| Canonical SMILES |
CN(Cc1cc(ccc1-c1ccccc1S(=O)(=O)Nc1ccno1)-c1ncco1)C(=O)CCOCCOCCOCCOCCOCCOCCOCCC(=O)Nc1ccc(CCC(=O)CC(C)=O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C50H63N5O15S/c1-38(56)35-43(57)13-9-39-7-11-42(12-8-39)53-47(58)16-20-62-23-25-64-27-29-66-31-33-68-34-32-67-30-28-65-26-24-63-21-17-49(59)55(2)37-41-36-40(50-51-19-22-69-50)10-14-44(41)45-5-3-4-6-46(45)71(60,61)54-48-15-18-52-70-48/h3-8,10-12,14-15,18-19,22,36,54H,9,13,16-17,20-21,23-35,37H2,1-2H3,(H,53,58)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UBBBOFHNARFNBK-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: PT01783, Endothelin receptor type B
Protein ID: PT01372, Endothelin-1 receptor