FzM1   Click here for help

GtoPdb Ligand ID: 10322

Compound class: Synthetic organic
Comment: FzM1 is a negative allosteric modulator of FZD4 [1-2].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 3
Rotatable bonds 5
Topological polar surface area 89.6
Molecular weight 360.09
XLogP 4.34
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=C(Nc1ccc2c(c1)cccc2)Nc1cc(O)cc(c1)c1cccs1
Isomeric SMILES O=C(Nc1ccc2c(c1)cccc2)Nc1cc(O)cc(c1)c1cccs1
InChI InChI=1S/C21H16N2O2S/c24-19-12-16(20-6-3-9-26-20)11-18(13-19)23-21(25)22-17-8-7-14-4-1-2-5-15(14)10-17/h1-13,24H,(H2,22,23,25)
InChI Key OBTSACXGWYGCPK-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
3-[3-hydroxy-5-(thiophen-2-yl)phenyl]-1-(naphthalen-2-yl)urea
Database Links Click here for help
CAS Registry No. 1680196-54-6 (source: PubChem)
GtoPdb PubChem SID 381745003
PubChem CID 90478321
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