General Information of the Compound
Compound ID
CP0944895
Compound Name
(-)-(R)-N-((S)-3-(dimethylamino)-1-(naphthalen-2-yl)propyl)-2-methoxy-2-phenylacetamide HCl
    Show/Hide
Structure
Formula
C24H29ClN2O2
Molecular Weight
412.961
Canonical SMILES
CO[C@@H](C(=O)N[C@@H](CCN(C)C)c1ccc2ccccc2c1)c1ccccc1.Cl
    Show/Hide
InChI
InChI=1S/C24H28N2O2.ClH/c1-26(2)16-15-22(21-14-13-18-9-7-8-12-20(18)17-21)25-24(27)23(28-3)19-10-5-4-6-11-19;/h4-14,17,22-23H,15-16H2,1-3H3,(H,25,27);1H/t22-,23+;/m0./s1
    Show/Hide
InChIKey
GADDLFVSLQEOBU-PEADMDKFSA-N
Physicochemical Property
logP
4.7583
Rotatable Bonds
8
Heavy Atom Count
29
Polar Areas
41.57
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
29

"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: 45481580
ChEMBL ID
CHEMBL572454
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: PT02463, Urotensin-2 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000035 NIH 3T3 Mus musculus (Mouse)  1
1
EC50 = 741.31 nM
   TI
   LI
   LO
   TS