KYR

4-(4-methylphenyl)-1~{H}-quinazolin-2-one

Created:	2022-06-07
Last modified:	2023-09-20

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1 entries where KYR is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	0
Bond Count	32
Aromatic Bond Count	12

2D diagram of KYR

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Chemical Component Summary
Name	4-(4-methylphenyl)-1~{H}-quinazolin-2-one
Systematic Name (OpenEye OEToolkits)	4-(4-methylphenyl)-1~{H}-quinazolin-2-one
Formula	C₁₅ H₁₂ N₂ O
Molecular Weight	236.269
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cc1ccc(cc1)C2=NC(=O)Nc3ccccc23
SMILES	OpenEye OEToolkits	2.0.7	Cc1ccc(cc1)C2=NC(=O)Nc3c2cccc3
Canonical SMILES	CACTVS	3.385	Cc1ccc(cc1)C2=NC(=O)Nc3ccccc23
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1ccc(cc1)C2=NC(=O)Nc3c2cccc3
InChI	InChI	1.06	InChI=1S/C15H12N2O/c1-10-6-8-11(9-7-10)14-12-4-2-3-5-13(12)16-15(18)17-14/h2-9H,1H3,(H,16,17,18)
InChIKey	InChI	1.06	LPCDEMFDWKLSBL-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	712790
ChEMBL	CHEMBL1409169

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