CP-316,311   

GtoPdb Ligand ID: 10377

Synonyms: compound 2 [PMID: 18260619] | CP-316311 | CP316311
Compound class: Synthetic organic
Comment: CP-316,311 is an orally active, small molecule corticotropin releasing factor-1 (CRF-1) receptor antagonist [1].
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 6
Topological polar surface area 31.35
Molecular weight 327.22
XLogP 5.92
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Canonical SMILES CCC(Oc1cc(C)nc(c1C)Oc1c(C)cc(cc1C)C)CC
Isomeric SMILES CCC(Oc1cc(C)nc(c1C)Oc1c(C)cc(cc1C)C)CC
InChI InChI=1S/C21H29NO2/c1-8-18(9-2)23-19-12-16(6)22-21(17(19)7)24-20-14(4)10-13(3)11-15(20)5/h10-12,18H,8-9H2,1-7H3
InChI Key ZSEJGVQTBLJRCQ-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
3,6-dimethyl-4-pentan-3-yloxy-2-(2,4,6-trimethylphenoxy)pyridine
Synonyms
compound 2 [PMID: 18260619] | CP-316311 | CP316311
Database Links
BindingDB Ligand 20933
ChEMBL Ligand CHEMBL270738
GtoPdb PubChem SID 384403657
PubChem CID 9818802
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