General Information of the Compound
Compound ID
CP0665882
Compound Name
SID24410258
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Structure
Formula
C6H8N4OS
Molecular Weight
184.224
Canonical SMILES
CC(=O)Nc1nnc2n1CCS2
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InChI
InChI=1S/C6H8N4OS/c1-4(11)7-5-8-9-6-10(5)2-3-12-6/h2-3H2,1H3,(H,7,8,11)
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InChIKey
KSBBJKNYPGSRAM-UHFFFAOYSA-N
Physicochemical Property
logP
0.3422
Rotatable Bonds
1
Heavy Atom Count
12
Polar Areas
59.81
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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: 16031304
ChEMBL ID
CHEMBL1714570
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: PT01425, Poly [ADP-ribose] polymerase tankyrase-2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 > 19000 nM
   TI
   LI
   LO
   TS