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
SMILES / InChI / InChIKey
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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+
InChI Key NDOBHDUXUJNXHX-NTEUORMPSA-N
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Compound class Synthetic organic
IUPAC Name Click here for help
4-[(E)-3-[[2-[[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-methylamino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N,N-dimethylbenzamide
Synonyms Click here for help
FR 167344 | FR-167344
Database Links Click here for help
ChEMBL Ligand CHEMBL1192627
GtoPdb PubChem SID 135650285
PubChem CID 9810391
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