General Information of the Compound
Compound ID
CP0465350
Compound Name
(R)-N-omega-[(4-Aminobutyl)aminocarbonyl]-Na-(2,2-diphenylacetyl)-N-(4-hydroxybenzyl)argininamide
    Show/Hide
Structure
Formula
C32H41N7O4
Molecular Weight
587.725
Canonical SMILES
NCCCCNC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1
    Show/Hide
InChI
InChI=1S/C32H41N7O4/c33-19-7-8-20-36-32(43)39-31(34)35-21-9-14-27(29(41)37-22-23-15-17-26(40)18-16-23)38-30(42)28(24-10-3-1-4-11-24)25-12-5-2-6-13-25/h1-6,10-13,15-18,27-28,40H,7-9,14,19-22,33H2,(H,37,41)(H,38,42)(H4,34,35,36,39,43)/t27-/m1/s1
    Show/Hide
InChIKey
YJNCRRHFYYPOPG-HHHXNRCGSA-N
Physicochemical Property
logP
2.4583
Rotatable Bonds
15
Heavy Atom Count
43
Polar Areas
183.96
Hydrogen Bond Donor Count
7
Hydrogen Bond Acceptor Count
6
Complexity
43

"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
CID: 54582344
ChEMBL ID
CHEMBL1774206
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
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000074 SK-N-MC Homo sapiens (Human)  1
1
Ki = 4.3 nM
   TI
   LI
   LO
   TS