GlyH-101   

GtoPdb Ligand ID: 4202

Synonyms: AGN-PC-005HH0 | CTK8E9894
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 6
Topological polar surface area 90.46
Molecular weight 490.95
XLogP 4.54
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES O=C(CNc1ccc2c(c1)cccc2)NNC=C1C=C(Br)C(=C(C1=O)Br)O
Isomeric SMILES O=C(CNc1ccc2c(c1)cccc2)NNC=C1C=C(Br)C(=C(C1=O)Br)O
InChI InChI=1S/C19H15Br2N3O3/c20-15-8-13(18(26)17(21)19(15)27)9-23-24-16(25)10-22-14-6-5-11-3-1-2-4-12(11)7-14/h1-9,22-23,27H,10H2,(H,24,25)
InChI Key FLGYCSPPJQJZCH-UHFFFAOYSA-N
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InChI standard key Download

Molecular structure representations generated using Open Babel