BMY-7378   Click here for help

GtoPdb Ligand ID: 9

Synonyms: BMY 7378 | BMY7378
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 5
Topological polar surface area 53.09
Molecular weight 385.24
XLogP 3.14
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2
Isomeric SMILES COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2
InChI InChI=1S/C22H31N3O3/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3
InChI Key AYYCFGDXLUPJAQ-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione
Synonyms Click here for help
BMY 7378 | BMY7378
Database Links Click here for help
BindingDB Ligand 50026917
CAS Registry No. 21102-94-3 (source: Scifinder)
ChEMBL Ligand CHEMBL13647
GtoPdb PubChem SID 135650009
PubChem CID 2419
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Wikipedia BMY-7,378