General Information of the Compound
Compound ID
CP0379089
Compound Name
tetrapropylazanium
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Structure
Formula
C12H28N+
Molecular Weight
186.363
Canonical SMILES
CCC[N+](CCC)(CCC)CCC
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InChI
InChI=1S/C12H28N/c1-5-9-13(10-6-2,11-7-3)12-8-4/h5-12H2,1-4H3/q+1
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InChIKey
OSBSFAARYOCBHB-UHFFFAOYSA-N
CAS
13010-31-6
Physicochemical Property
logP
3.4432
Rotatable Bonds
8
Heavy Atom Count
13
Polar Areas
0
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
0
Complexity
13

"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: 9559
SID: 15171442
ChEMBL ID
CHEMBL2074857
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: PT06157, Solute carrier family 22 member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000031 MDCK Canis lupus familiaris (Dog)  1
1
IC50 = 23000 nM
   TI
   LI
   LO
   TS
Protein ID: PT04368, Solute carrier family 22 member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000031 MDCK Canis lupus familiaris (Dog)  1
1
IC50 = 39000 nM
   TI
   LI
   LO
   TS