General Information of the Compound
Compound ID
CP0943551
Compound Name
(E)-3-(2-(1H-Tetrazol-5-yl)vinyl)-1H-indole
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Structure
Formula
C11H9N5
Molecular Weight
211.228
Canonical SMILES
C(=C/c1c[nH]c2ccccc12)\c1nnn[nH]1
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InChI
InChI=1S/C11H9N5/c1-2-4-10-9(3-1)8(7-12-10)5-6-11-13-15-16-14-11/h1-7,12H,(H,13,14,15,16)/b6-5+
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InChIKey
YLHZVTMUYKFTNE-AATRIKPKSA-N
Physicochemical Property
logP
1.8514
Rotatable Bonds
2
Heavy Atom Count
16
Polar Areas
70.25
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
16

"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: 136086940
SID: 125320179
ChEMBL ID
CHEMBL1812544
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: PT05447, Tryptophan 2,3-dioxygenase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000784 P815B Mus musculus (Mouse)  1
1
IC50 = 10000 nM
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   LI
   LO
   TS