HPJ

1-hydroxy-6-[1-(3-methoxypropyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-phenylpyridin-2(1H)-one

Created:	2012-08-24
Last modified:	2012-12-07

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1 entries where HPJ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	49
Chiral Atom Count	0
Bond Count	52
Aromatic Bond Count	16

2D diagram of HPJ

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Chemical Component Summary
Name	1-hydroxy-6-[1-(3-methoxypropyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-phenylpyridin-2(1H)-one
Systematic Name (OpenEye OEToolkits)	6-[1-(3-methoxypropyl)pyrrolo[2,3-b]pyridin-5-yl]-1-oxidanyl-4-phenyl-pyridin-2-one
Formula	C₂₂ H₂₁ N₃ O₃
Molecular Weight	375.42
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C4C=C(c1ccccc1)C=C(c2cc3ccn(c3nc2)CCCOC)N4O
SMILES	CACTVS	3.370	COCCCn1ccc2cc(cnc12)C3=CC(=CC(=O)N3O)c4ccccc4
SMILES	OpenEye OEToolkits	1.7.6	COCCCn1ccc2c1ncc(c2)C3=CC(=CC(=O)N3O)c4ccccc4
Canonical SMILES	CACTVS	3.370	COCCCn1ccc2cc(cnc12)C3=CC(=CC(=O)N3O)c4ccccc4
Canonical SMILES	OpenEye OEToolkits	1.7.6	COCCCn1ccc2c1ncc(c2)C3=CC(=CC(=O)N3O)c4ccccc4
InChI	InChI	1.03	InChI=1S/C22H21N3O3/c1-28-11-5-9-24-10-8-17-12-19(15-23-22(17)24)20-13-18(14-21(26)25(20)27)16-6-3-2-4-7-16/h2-4,6-8,10,12-15,27H,5,9,11H2,1H3
InChIKey	InChI	1.03	MIWLVFZOCHMICD-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL2203964
PubChem	70679296
ChEMBL	CHEMBL2203964

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.