General Information of the Compound
Compound ID
CP0490662
Compound Name
10-(2-(diethylamino)ethyl)acridin-9(10H)-one
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Structure
Formula
C19H22N2O
Molecular Weight
294.398
Canonical SMILES
CCN(CC)CCn1c2ccccc2c(=O)c2ccccc12
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InChI
InChI=1S/C19H22N2O/c1-3-20(4-2)13-14-21-17-11-7-5-9-15(17)19(22)16-10-6-8-12-18(16)21/h5-12H,3-4,13-14H2,1-2H3
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InChIKey
RINBNPPEMJIWTC-UHFFFAOYSA-N
CAS
60536-22-3
Physicochemical Property
logP
3.4965
Rotatable Bonds
5
Heavy Atom Count
22
Polar Areas
25.24
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
22

"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: 148883
SID: 56333743
ChEMBL ID
CHEMBL444412
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: PT00884, Sodium-dependent dopamine transporter
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS
Protein ID: PT00871, Sodium-dependent serotonin transporter
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS