General Information of the Compound
Compound ID
CP0054866
Compound Name
CHEBI:29200
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Structure
Formula
CHNS
Molecular Weight
59.093
Canonical SMILES
SC#N
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InChI
InChI=1S/CHNS/c2-1-3/h3H
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InChIKey
ZMZDMBWJUHKJPS-UHFFFAOYSA-N
CAS
31782-33-9
42402-57-3
56925-41-8
60773-52-6
60930-21-4
80864-27-3
463-56-9
134932-16-4
Physicochemical Property
logP
0.39728
Rotatable Bonds
0
Heavy Atom Count
3
Polar Areas
23.79
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
3

"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: 781
SID: 15412702
ChEMBL ID
CHEMBL84336
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: PT06392, Sodium/iodide cotransporter
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000459 FRTL-5 Rattus norvegicus (Rat)  1
1
IC50 = 14000 nM
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