U73122   Click here for help

GtoPdb Ligand ID: 5283

Synonyms: U 73122 | U-73122
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 9
Topological polar surface area 58.64
Molecular weight 464.3
XLogP 5.56
No. Lipinski's rules broken 1
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Canonical SMILES COc1ccc2c(c1)CCC1C2CCC2(C1CCC2NCCCCCCN1C(=O)C=CC1=O)C
Isomeric SMILES COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2NCCCCCCN1C(=O)C=CC1=O)C
InChI InChI=1S/C29H40N2O3/c1-29-16-15-23-22-10-8-21(34-2)19-20(22)7-9-24(23)25(29)11-12-26(29)30-17-5-3-4-6-18-31-27(32)13-14-28(31)33/h8,10,13-14,19,23-26,30H,3-7,9,11-12,15-18H2,1-2H3/t23-,24-,25+,26+,29+/m1/s1
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Synonyms Click here for help
U 73122 | U-73122
Database Links Click here for help
CAS Registry No. 112648-68-7
ChEMBL Ligand CHEMBL1256678
GtoPdb PubChem SID 178101966
PubChem CID 104794
Search Google for chemical match using the InChIKey LUFAORPFSVMJIW-ZRJUGLEFSA-N
Search Google for chemicals with the same backbone LUFAORPFSVMJIW
UniChem Compound Search for chemical match using the InChIKey LUFAORPFSVMJIW-ZRJUGLEFSA-N
UniChem Connectivity Search for chemical match using the InChIKey LUFAORPFSVMJIW-ZRJUGLEFSA-N

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U 73122 (links to external site)
Cat. No. 1268