General Information of the Compound
| Compound ID |
CP0432527
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
Ac-bhg-F-N-Y-Y-W
Show/Hide
|
||||||||||||||||||
| Synonyms |
Ac-bhg-F-N-Y-Y-W
CHEMBL385405
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C61H62N8O11
|
||||||||||||||||||
| Molecular Weight |
1083.212
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)N[C@@H](C1c2ccccc2CCc2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C61H62N8O11/c1-35(70)64-55(54-45-16-7-5-13-39(45)23-24-40-14-6-8-17-46(40)54)60(78)68-50(29-36-11-3-2-4-12-36)57(75)67-51(33-53(62)73)59(77)66-48(30-37-19-25-42(71)26-20-37)56(74)65-49(31-38-21-27-43(72)28-22-38)58(76)69-52(61(79)80)32-41-34-63-47-18-10-9-15-44(41)47/h2-22,25-28,34,48-52,54-55,63,71-72H,23-24,29-33H2,1H3,(H2,62,73)(H,64,70)(H,65,74)(H,66,77)(H,67,75)(H,68,78)(H,69,76)(H,79,80)/t48-,49-,50-,51-,52-,55-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DTNUUCGDOGDUBL-NHTZSVLLSA-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
Clinical Information about the Compound