1LQ

quinazolin-4-amine

Created:	2013-03-21
Last modified:	2013-07-31

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6 entries where 1LQ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	18
Chiral Atom Count	0
Bond Count	19
Aromatic Bond Count	11

2D diagram of 1LQ

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Chemical Component Summary
Name	quinazolin-4-amine
Systematic Name (OpenEye OEToolkits)	quinazolin-4-amine
Formula	C₈ H₇ N₃
Molecular Weight	145.161
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n2c1c(cccc1)c(nc2)N
SMILES	CACTVS	3.370	Nc1ncnc2ccccc12
SMILES	OpenEye OEToolkits	1.7.6	c1ccc2c(c1)c(ncn2)N
Canonical SMILES	CACTVS	3.370	Nc1ncnc2ccccc12
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1ccc2c(c1)c(ncn2)N
InChI	InChI	1.03	InChI=1S/C8H7N3/c9-8-6-3-1-2-4-7(6)10-5-11-8/h1-5H,(H2,9,10,11)
InChIKey	InChI	1.03	DRYRBWIFRVMRPV-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	84759
ChEMBL	CHEMBL266128
CCDC/CSD	YALHOM

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.