General Information of the Compound
Compound ID
CP0649083
Compound Name
SID90341739
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Synonyms
1-Pyrrolidinecarbodithioic acid
1-Pyrrolidinecarbodithioic acid, ammonium salt
25769-03-3
5108-96-3
Ammonium 1-pyrrolidinecarbodithioate
Ammonium pyrrolidine dithiocarbamate
C5H9NS2
CHEBI:78782
NCIOpen2_000025
NSC298194
PDTC
Pyrrolidine dithiocarbamate
Pyrrolidine dithiocarbamic acid
Pyrrolidine-1-carbodithioic acid
Pyrrolidine-N-carbodithioic acid
Pyrrolidine-N-dithiocarbamic acid ammonium salt
Pyrrolidinedithiocarbamate
Tetramethylenedithiocarbamic acid
ammonium tetramethylene dithiocarbamate
apdc
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Structure
Formula
C5H9NS2
Molecular Weight
147.268
Canonical SMILES
S=C(S)N1CCCC1
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InChI
InChI=1S/C5H9NS2/c7-5(8)6-3-1-2-4-6/h1-4H2,(H,7,8)
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InChIKey
VSWDORGPIHIGNW-UHFFFAOYSA-N
Physicochemical Property
logP
1.2969
Rotatable Bonds
0
Heavy Atom Count
8
Polar Areas
3.24
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
8

"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: 65351
SID: 15297429
ChEMBL ID
CHEMBL399491
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: PT01065, Serine/threonine-protein kinase mTOR
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL001056 MEF-1 [Mouse fibroblast]
 Cell Line Info 
Mus musculus (Mouse)  1
1
Potency = 4645.1 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Pyrrolidine dithiocarbamate )
Drug Name Pyrrolidine dithiocarbamate