NAN 190   Click here for help

GtoPdb Ligand ID: 73

Synonyms: NAN-190 | NAN190
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 7
Topological polar surface area 53.09
Molecular weight 393.21
XLogP 3.55
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COc1ccccc1N1CCN(CC1)CCCCN1C(=O)c2c(C1=O)cccc2
Isomeric SMILES COc1ccccc1N1CCN(CC1)CCCCN1C(=O)c2c(C1=O)cccc2
InChI InChI=1S/C23H27N3O3/c1-29-21-11-5-4-10-20(21)25-16-14-24(15-17-25)12-6-7-13-26-22(27)18-8-2-3-9-19(18)23(26)28/h2-5,8-11H,6-7,12-17H2,1H3
InChI Key SJDOMIRMMUGQQK-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]isoindole-1,3-dione
Synonyms Click here for help
NAN-190 | NAN190
Database Links Click here for help
BindingDB Ligand 50007169
CAS Registry No. 102392-05-2 (source: Scifinder)
ChEMBL Ligand CHEMBL8618
GtoPdb PubChem SID 135650690
PubChem CID 4431
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Wikipedia NAN-190