General Information of the Compound
Compound ID
CP0540044
Compound Name
(1S,2S)-N-[(1R)-2-hydroxy-1-naphthalen-2-ylethyl]-2-phenylcyclopropane-1-carboxamide
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Structure
Formula
C22H21NO2
Molecular Weight
331.415
Canonical SMILES
OC[C@H](NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccc2ccccc2c1
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InChI
InChI=1S/C22H21NO2/c24-14-21(18-11-10-15-6-4-5-9-17(15)12-18)23-22(25)20-13-19(20)16-7-2-1-3-8-16/h1-12,19-21,24H,13-14H2,(H,23,25)/t19-,20+,21+/m1/s1
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InChIKey
ZSCFETLRKPSUJK-HKBOAZHASA-N
Physicochemical Property
logP
3.7931
Rotatable Bonds
5
Heavy Atom Count
25
Polar Areas
49.33
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
25

"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: 118730018
ChEMBL ID
CHEMBL3403797
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: PT03540, G protein-coupled receptor 88
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 2500 nM
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