Gö 7874   Click here for help

GtoPdb Ligand ID: 335

Synonyms: Go 7874 | Go-7874 | Go7874
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 2
Rotatable bonds 5
Topological polar surface area 92.49
Molecular weight 470.2
XLogP 3.71
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COc1ccc2c(c1)c1c3c(=O)[nH]c(=O)c3c3c(c1n2CC(CN(C)C)O)n(C)c1c3cccc1
Isomeric SMILES COc1ccc2c(c1)c1c3c(=O)[nH]c(=O)c3c3c(c1n2CC(CN(C)C)O)n(C)c1c3cccc1
InChI InChI=1S/C27H26N4O4/c1-29(2)12-14(32)13-31-19-10-9-15(35-4)11-17(19)21-23-22(26(33)28-27(23)34)20-16-7-5-6-8-18(16)30(3)24(20)25(21)31/h5-11,14,32H,12-13H2,1-4H3,(H,28,33,34)
InChI Key NYBAPNLYWRMTJL-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Synonyms Click here for help
Go 7874 | Go-7874 | Go7874
Database Links Click here for help
BindingDB Ligand 3049
CAS Registry No. 153207-86-4 (source: SciFinder)
ChEMBL Ligand CHEMBL157822
GtoPdb PubChem SID 135650308
PubChem CID 3500
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