ST034307   Click here for help

GtoPdb Ligand ID: 10092

Compound class: Synthetic organic
Comment: ST034307 is selective small-molecule inhibitor of adenylyl cyclase 1 [1]. It has shown experimental analgesic properties in vivo.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 1
Topological polar surface area 30.21
Molecular weight 295.9
XLogP 4.61
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Clc1ccc2c(c1)c(=O)cc(o2)C(Cl)(Cl)Cl
Isomeric SMILES Clc1ccc2c(c1)c(=O)cc(o2)C(Cl)(Cl)Cl
InChI InChI=1S/C10H4Cl4O2/c11-5-1-2-8-6(3-5)7(15)4-9(16-8)10(12,13)14/h1-4H
InChI Key NTDHYMSVCBGQJF-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
6-chloro-2-(trichloromethyl)chromen-4-one
Database Links Click here for help
CAS Registry No. 133406-29-8 (source: PubChem)
GtoPdb PubChem SID 381118802
PubChem CID 867466
Search Google for chemical match using the InChIKey NTDHYMSVCBGQJF-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey NTDHYMSVCBGQJF-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey NTDHYMSVCBGQJF-UHFFFAOYSA-N

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Tocris
ST 034307
Cat. No. 6271