General Information of the Compound
Compound ID
CP0848420
Compound Name
1-naphthyl N-[3-[4-(o-tolyl)piperazin-1-yl]propyl]carbamate hydrochloride
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Structure
Formula
C25H30ClN3O2
Molecular Weight
439.987
Canonical SMILES
Cc1ccccc1N1CCN(CCCNC(=O)Oc2cccc3ccccc23)CC1.Cl
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InChI
InChI=1S/C25H29N3O2.ClH/c1-20-8-2-5-12-23(20)28-18-16-27(17-19-28)15-7-14-26-25(29)30-24-13-6-10-21-9-3-4-11-22(21)24;/h2-6,8-13H,7,14-19H2,1H3,(H,26,29);1H
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InChIKey
DYHLCADQPGGYMW-UHFFFAOYSA-N
Physicochemical Property
logP
4.87072
Rotatable Bonds
6
Heavy Atom Count
31
Polar Areas
44.81
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
31

"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: 127047592
ChEMBL ID
CHEMBL3798943
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: PT01298, Cannabinoid receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 9.1 nM
   TI
   LI
   LO
   TS
Protein ID: PT01005, D(2) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 14000 nM
   TI
   LI
   LO
   TS
Protein ID: PT00943, D(3) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
EC50 = 19.2 nM
   TI
   LI
   LO
   TS
Protein ID: PT01099, Fatty-acid amide hydrolase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 5.3 nM
   TI
   LI
   LO
   TS