PCS1055   Click here for help

GtoPdb Ligand ID: 11499

Synonyms: PCS-1055
Compound class: Synthetic organic
Comment: PCS1055 is a muscarinic M4 receptor antagonist [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 41.05
Molecular weight 412.26
XLogP 5.68
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES c1ccc(cc1)CN1CCC(CC1)CCNc1nnc2c(c1)CCCc1c2cccc1
Isomeric SMILES c1ccc(cc1)CN1CCC(CC1)CCNc1nnc2c(c1)CCCc1c2cccc1
InChI InChI=1S/C27H32N4/c1-2-7-22(8-3-1)20-31-17-14-21(15-18-31)13-16-28-26-19-24-11-6-10-23-9-4-5-12-25(23)27(24)30-29-26/h1-5,7-9,12,19,21H,6,10-11,13-18,20H2,(H,28,29)
InChI Key ATHZIFFSGSWIAU-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Synonyms Click here for help
PCS-1055
Database Links Click here for help
BindingDB Ligand 50369842
ChEMBL Ligand CHEMBL88223
GtoPdb PubChem SID 440816867
PubChem CID 10894911
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