General Information of the Compound
Compound ID
CP0444559
Compound Name
5-chloronaphthalen-1-amine
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Structure
Formula
C10H8ClN
Molecular Weight
177.634
Canonical SMILES
Nc1cccc2c(Cl)cccc12
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InChI
InChI=1S/C10H8ClN/c11-9-5-1-4-8-7(9)3-2-6-10(8)12/h1-6H,12H2
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InChIKey
JRFLIJXBMJNZQP-UHFFFAOYSA-N
Physicochemical Property
logP
3.0754
Rotatable Bonds
0
Heavy Atom Count
12
Polar Areas
26.02
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
12

"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: 4455053
ChEMBL ID
CHEMBL4860923
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: PT05155, Nuclear receptor subfamily 4 group A member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
EC50 = 7300 nM
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