BPU

7-bromopyrrolo[1,2-a]quinoxalin-4(5H)-one

Created:	2010-09-30
Last modified:	2012-02-27

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1 entries where BPU is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	22
Chiral Atom Count	0
Bond Count	24
Aromatic Bond Count	11

2D diagram of BPU

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Chemical Component Summary
Name	7-bromopyrrolo[1,2-a]quinoxalin-4(5H)-one
Systematic Name (OpenEye OEToolkits)	7-bromanyl-5H-pyrrolo[1,2-a]quinoxalin-4-one
Formula	C₁₁ H₇ Br N₂ O
Molecular Weight	263.09
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Brc1cc2c(cc1)n3c(C(=O)N2)ccc3
SMILES	CACTVS	3.370	Brc1ccc2n3cccc3C(=O)Nc2c1
SMILES	OpenEye OEToolkits	1.7.6	c1cc2n(c1)-c3ccc(cc3NC2=O)Br
Canonical SMILES	CACTVS	3.370	Brc1ccc2n3cccc3C(=O)Nc2c1
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1cc2n(c1)-c3ccc(cc3NC2=O)Br
InChI	InChI	1.03	InChI=1S/C11H7BrN2O/c12-7-3-4-9-8(6-7)13-11(15)10-2-1-5-14(9)10/h1-6H,(H,13,15)
InChIKey	InChI	1.03	RNCKOJOKKQPZIB-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	16011744
ChEMBL	CHEMBL1231450

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