FYK

3-(5-chloro-6-cyclopropoxy-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid

Created:	2017-01-31
Last modified:	2017-04-19

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1 entries where FYK is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	32
Chiral Atom Count	0
Bond Count	34
Aromatic Bond Count	6

2D diagram of FYK

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Chemical Component Summary
Name	3-(5-chloro-6-cyclopropoxy-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid
Systematic Name (OpenEye OEToolkits)	3-(5-chloranyl-6-cyclopropyloxy-2-oxidanylidene-1,3-benzoxazol-3-yl)propanoic acid
Formula	C₁₃ H₁₂ Cl N O₅
Molecular Weight	297.691
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	OC(=O)CCN1C(=O)Oc2cc(OC3CC3)c(Cl)cc12
SMILES	OpenEye OEToolkits	2.0.6	c1c2c(cc(c1Cl)OC3CC3)OC(=O)N2CCC(=O)O
Canonical SMILES	CACTVS	3.385	OC(=O)CCN1C(=O)Oc2cc(OC3CC3)c(Cl)cc12
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1c2c(cc(c1Cl)OC3CC3)OC(=O)N2CCC(=O)O
InChI	InChI	1.03	InChI=1S/C13H12ClNO5/c14-8-5-9-11(6-10(8)19-7-1-2-7)20-13(18)15(9)4-3-12(16)17/h5-7H,1-4H2,(H,16,17)
InChIKey	InChI	1.03	AYXQPTCYJAJHBG-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	118174653
ChEMBL	CHEMBL4061542

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