EYA

3-(3-methyl-4-oxo-3,4-dihydroquinazolin-2-yl)propanoic acid

Created:	2018-02-12
Last modified:	2018-02-28

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1 entries where EYA is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	29
Chiral Atom Count	0
Bond Count	30
Aromatic Bond Count	6

2D diagram of EYA

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Chemical Component Summary
Name	3-(3-methyl-4-oxo-3,4-dihydroquinazolin-2-yl)propanoic acid
Systematic Name (OpenEye OEToolkits)	3-(3-methyl-4-oxidanylidene-quinazolin-2-yl)propanoic acid
Formula	C₁₂ H₁₂ N₂ O₃
Molecular Weight	232.235
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C=1(N(C)C(=O)c2c(N=1)cccc2)CCC(O)=O
SMILES	CACTVS	3.385	CN1C(=Nc2ccccc2C1=O)CCC(O)=O
SMILES	OpenEye OEToolkits	2.0.6	CN1C(=Nc2ccccc2C1=O)CCC(=O)O
Canonical SMILES	CACTVS	3.385	CN1C(=Nc2ccccc2C1=O)CCC(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.6	CN1C(=Nc2ccccc2C1=O)CCC(=O)O
InChI	InChI	1.03	InChI=1S/C12H12N2O3/c1-14-10(6-7-11(15)16)13-9-5-3-2-4-8(9)12(14)17/h2-5H,6-7H2,1H3,(H,15,16)
InChIKey	InChI	1.03	UXGWMRNLTMHSST-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	7130899
ChEMBL	CHEMBL4204982

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