General Information of the Compound
Compound ID
CP0478407
Compound Name
(R)-N-omega-(6-Aminohexanoyl)-Na-(2,2-diphenylacetyl)-N-(4-hydroxybenzyl)argininamide
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Structure
Formula
C33H42N6O4
Molecular Weight
586.737
Canonical SMILES
NCCCCCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1
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InChI
InChI=1S/C33H42N6O4/c34-21-9-3-8-16-29(41)39-33(35)36-22-10-15-28(31(42)37-23-24-17-19-27(40)20-18-24)38-32(43)30(25-11-4-1-5-12-25)26-13-6-2-7-14-26/h1-2,4-7,11-14,17-20,28,30,40H,3,8-10,15-16,21-23,34H2,(H,37,42)(H,38,43)(H3,35,36,39,41)/t28-/m1/s1
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InChIKey
NSKHVDODDKWFSQ-MUUNZHRXSA-N
Physicochemical Property
logP
3.0555
Rotatable Bonds
16
Heavy Atom Count
43
Polar Areas
171.93
Hydrogen Bond Donor Count
6
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).

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PubChem ID
CID: 54587217
ChEMBL ID
CHEMBL1774205
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 = 19 nM
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