naltriben   Click here for help

GtoPdb Ligand ID: 1640

Abbreviated name: NTB
Synonyms: naltrindole benzofuran
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 66.07
Molecular weight 415.18
XLogP 2.64
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Oc1ccc2c3c1OC1C43CCN(C(C2)C4(O)Cc2c1oc1c2cccc1)CC1CC1
Isomeric SMILES Oc1ccc2c3c1O[C@@H]1[C@@]43CCN([C@H](C2)[C@]4(O)Cc2c1oc1c2cccc1)CC1CC1
InChI InChI=1S/C26H25NO4/c28-18-8-7-15-11-20-26(29)12-17-16-3-1-2-4-19(16)30-22(17)24-25(26,21(15)23(18)31-24)9-10-27(20)13-14-5-6-14/h1-4,7-8,14,20,24,28-29H,5-6,9-13H2/t20-,24+,25+,26-/m1/s1
InChI Key ZHVWWEYETMPAMX-IFKAHUTRSA-N
Classification Click here for help
Compound class Synthetic organic
Synonyms Click here for help
naltrindole benzofuran
Database Links Click here for help
Specialist databases
GPCRdb Ligand naltriben
Other databases
CAS Registry No. 111555-58-9 (source: Scifinder)
ChEMBL Ligand CHEMBL100940
GtoPdb PubChem SID 135650688
PubChem CID 5486827
Search Google for chemical match using the InChIKey ZHVWWEYETMPAMX-IFKAHUTRSA-N
Search Google for chemicals with the same backbone ZHVWWEYETMPAMX
UniChem Compound Search for chemical match using the InChIKey ZHVWWEYETMPAMX-IFKAHUTRSA-N
UniChem Connectivity Search for chemical match using the InChIKey ZHVWWEYETMPAMX-IFKAHUTRSA-N
Wikipedia Naltriben