[3H]osanetant   Click here for help

GtoPdb Ligand ID: 3480

Synonyms: [3H]SR142,801 | [3H]SR142801
 Ligand is labelled  Ligand is radioactive
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 10
Topological polar surface area 43.86
Molecular weight 605.26
XLogP 7.05
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES O=C(N1CCCC(C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1
Isomeric SMILES O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1
InChI InChI=1S/C35H41Cl2N3O2/c1-27(41)38(2)35(29-13-7-4-8-14-29)19-23-39(24-20-35)21-9-17-34(30-15-16-31(36)32(37)25-30)18-10-22-40(26-34)33(42)28-11-5-3-6-12-28/h3-8,11-16,25H,9-10,17-24,26H2,1-2H3/t34-/m0/s1
InChI Key DZOJBGLFWINFBF-UMSFTDKQSA-N
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Compound class Synthetic organic
IUPAC Name Click here for help
N-[1-[3-[(3R)-1-(benzoyl)-3-(3,4-dichlorophenyl)piperidin-3-yl]propyl]-4-phenylpiperidin-4-yl]-N-methylacetamide
Synonyms Click here for help
[3H]SR142,801 | [3H]SR142801
Database Links Click here for help
ChEMBL Ligand CHEMBL346178
GtoPdb PubChem SID 178100471
PubChem CID 219077
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