FR167344   Click here for help

GtoPdb Ligand ID: 673

Synonyms: FR 167344 | FR-167344
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 12
Topological polar surface area 96.25
Molecular weight 671.07
XLogP 6.02
No. Lipinski's rules broken 1
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Canonical SMILES O=C(C=Cc1ccc(cc1)C(=O)N(C)C)NCC(=O)N(c1ccc(c(c1Cl)COc1cccn2c1nc(c2Br)C)Cl)C
Isomeric SMILES O=C(/C=C/c1ccc(cc1)C(=O)N(C)C)NCC(=O)N(c1ccc(c(c1Cl)COc1cccn2c1nc(c2Br)C)Cl)C
InChI InChI=1S/C30H28BrCl2N5O4/c1-18-28(31)38-15-5-6-24(29(38)35-18)42-17-21-22(32)12-13-23(27(21)33)37(4)26(40)16-34-25(39)14-9-19-7-10-20(11-8-19)30(41)36(2)3/h5-15H,16-17H2,1-4H3,(H,34,39)/b14-9+
Classification Click here for help
Compound class Synthetic organic
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FR 167344 | FR-167344
Database Links Click here for help
Specialist databases
GPCRdb Ligand FR167344
Other databases
ChEMBL Ligand CHEMBL1192627
GtoPdb PubChem SID 135650285
PubChem CID 9810391
Search Google for chemical match using the InChIKey NDOBHDUXUJNXHX-NTEUORMPSA-N
Search Google for chemicals with the same backbone NDOBHDUXUJNXHX
UniChem Compound Search for chemical match using the InChIKey NDOBHDUXUJNXHX-NTEUORMPSA-N
UniChem Connectivity Search for chemical match using the InChIKey NDOBHDUXUJNXHX-NTEUORMPSA-N