CP 376,395   Click here for help

GtoPdb Ligand ID: 3496

Synonyms: compound 3a [PMID: 18288792] | CP 376395 | CP-376,395 | CP-376395 | CP376395
PDB Ligand
Compound class: Synthetic organic
Comment: CP 376,395 (CP-376395) is an orally active, selective CRF1 receptor antagonist [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 34.15
Molecular weight 326.24
XLogP 5.65
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES CCC(Nc1cc(C)nc(c1C)Oc1c(C)cc(cc1C)C)CC
Isomeric SMILES CCC(Nc1cc(C)nc(c1C)Oc1c(C)cc(cc1C)C)CC
InChI InChI=1S/C21H30N2O/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,(H,22,23)
InChI Key VIZBSVDBNLAVAW-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
3,6-dimethyl-N-pentan-3-yl-2-(2,4,6-trimethylphenoxy)pyridin-4-amine
Synonyms Click here for help
compound 3a [PMID: 18288792] | CP 376395 | CP-376,395 | CP-376395 | CP376395
Database Links Click here for help
CAS Registry No. 175140-00-8 (source: Scifinder)
ChEMBL Ligand CHEMBL270948
GtoPdb PubChem SID 178100484
PubChem CID 9862166
RCSB PDB Ligand 1Q5
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