Z78

3-(2-fluorophenyl)-1-(2-hydroxyethyl)-1-[(6-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]urea

Created:	2010-02-25
Last modified:	2011-06-04

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1 entries where Z78 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	47
Chiral Atom Count	0
Bond Count	49
Aromatic Bond Count	12

2D diagram of Z78

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Chemical Component Summary
Name	3-(2-fluorophenyl)-1-(2-hydroxyethyl)-1-[(6-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]urea
Systematic Name (OpenEye OEToolkits)	3-(2-fluorophenyl)-1-(2-hydroxyethyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
Formula	C₂₀ H₂₀ F N₃ O₃
Molecular Weight	369.39
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.352	Cc1ccc2NC(=O)C(=Cc2c1)CN(CCO)C(=O)Nc3ccccc3F
SMILES	OpenEye OEToolkits	1.7.0	Cc1ccc2c(c1)C=C(C(=O)N2)CN(CCO)C(=O)Nc3ccccc3F
Canonical SMILES	CACTVS	3.352	Cc1ccc2NC(=O)C(=Cc2c1)CN(CCO)C(=O)Nc3ccccc3F
Canonical SMILES	OpenEye OEToolkits	1.7.0	Cc1ccc2c(c1)C=C(C(=O)N2)CN(CCO)C(=O)Nc3ccccc3F
InChI	InChI	1.03	InChI=1S/C20H20FN3O3/c1-13-6-7-17-14(10-13)11-15(19(26)22-17)12-24(8-9-25)20(27)23-18-5-3-2-4-16(18)21/h2-7,10-11,25H,8-9,12H2,1H3,(H,22,26)(H,23,27)
InChIKey	InChI	1.03	IZEKTGGQNDYMPR-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL1236933
PubChem	1449404
ChEMBL	CHEMBL1236933

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