A3Q

4-(3-hydroxyphenyl)-1~{H}-pyrrolo[2,3-b]pyridine-3-carbonitrile

Created:	2017-08-10
Last modified:	2017-10-25

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1 entries where A3Q is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	27
Chiral Atom Count	0
Bond Count	29
Aromatic Bond Count	16

2D diagram of A3Q

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Chemical Component Summary
Name	4-(3-hydroxyphenyl)-1~{H}-pyrrolo[2,3-b]pyridine-3-carbonitrile
Systematic Name (OpenEye OEToolkits)	4-(3-hydroxyphenyl)-1~{H}-pyrrolo[2,3-b]pyridine-3-carbonitrile
Formula	C₁₄ H₉ N₃ O
Molecular Weight	235.241
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Oc1cccc(c1)c2ccnc3[nH]cc(C#N)c23
SMILES	OpenEye OEToolkits	2.0.6	c1cc(cc(c1)O)c2ccnc3c2c(c[nH]3)C#N
Canonical SMILES	CACTVS	3.385	Oc1cccc(c1)c2ccnc3[nH]cc(C#N)c23
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1cc(cc(c1)O)c2ccnc3c2c(c[nH]3)C#N
InChI	InChI	1.03	InChI=1S/C14H9N3O/c15-7-10-8-17-14-13(10)12(4-5-16-14)9-2-1-3-11(18)6-9/h1-6,8,18H,(H,16,17)
InChIKey	InChI	1.03	NSJGIUMXLVXGPU-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL4068861
PubChem	24772735
ChEMBL	CHEMBL4068861

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.