General Information of the Compound
| Compound ID |
CP0407120
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N,N'-bis[N'-[(4R)-4-[(2,2-diphenylacetyl)amino]-5-[(4-hydroxyphenyl)methylamino]-5-oxopentyl]carbamimidoyl]octanediamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C62H72N10O8
|
||||||||||||||||||
| Molecular Weight |
1085.32
|
||||||||||||||||||
| Canonical SMILES |
NC(NC(=O)CCCCCCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C62H72N10O8/c63-61(65-39-17-27-51(57(77)67-41-43-31-35-49(73)36-32-43)69-59(79)55(45-19-7-3-8-20-45)46-21-9-4-10-22-46)71-53(75)29-15-1-2-16-30-54(76)72-62(64)66-40-18-28-52(58(78)68-42-44-33-37-50(74)38-34-44)70-60(80)56(47-23-11-5-12-24-47)48-25-13-6-14-26-48/h3-14,19-26,31-38,51-52,55-56,73-74H,1-2,15-18,27-30,39-42H2,(H,67,77)(H,68,78)(H,69,79)(H,70,80)(H3,63,65,71,75)(H3,64,66,72,76)/t51-,52-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YDUORKXCUINLAJ-YWSWRHJRSA-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: PT02259, Neuropeptide Y receptor type 1
Protein ID: PT01909, Neuropeptide Y receptor type 4