General Information of the Compound
Compound ID
CP0505697
Compound Name
9,10-Dihydro-acridine
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Structure
Formula
C13H11N
Molecular Weight
181.238
Canonical SMILES
C1c2ccccc2Nc2ccccc12
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InChI
InChI=1S/C13H11N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-8,14H,9H2
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InChIKey
HJCUTNIGJHJGCF-UHFFFAOYSA-N
CAS
92-81-9
Physicochemical Property
logP
3.3344
Rotatable Bonds
0
Heavy Atom Count
14
Polar Areas
12.03
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
14

"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: 7106
SID: 16214854
ChEMBL ID
CHEMBL304205
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: PT01743, Polyunsaturated fatty acid 5-lipoxygenase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000194 RBL-1 Rattus norvegicus (Rat)  1
1
IC50 = 1600 nM
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