BMS753   Click here for help

GtoPdb Ligand ID: 2650

Synonyms: BMS 753 | BMS-753
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 83.47
Molecular weight 351.15
XLogP 3.65
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=C(c1ccc2c(c1)C(C)(C)C(=O)C2(C)C)Nc1ccc(cc1)C(=O)O
Isomeric SMILES O=C(c1ccc2c(c1)C(C)(C)C(=O)C2(C)C)Nc1ccc(cc1)C(=O)O
InChI InChI=1S/C21H21NO4/c1-20(2)15-10-7-13(11-16(15)21(3,4)19(20)26)17(23)22-14-8-5-12(6-9-14)18(24)25/h5-11H,1-4H3,(H,22,23)(H,24,25)
InChI Key KFBPBWUZXBYJDG-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
4-[(1,1,3,3-tetramethyl-2-oxoindene-5-carbonyl)amino]benzoic acid
Synonyms Click here for help
BMS 753 | BMS-753
Database Links Click here for help
BindingDB Ligand 36810
GtoPdb PubChem SID 135650006
PubChem CID 9884820
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Tocris
BMS 753
Cat. No. 3505