OK1

3-[5-chloro-6-(cyclobutylmethoxy)-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 OK1 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	38
Chiral Atom Count	0
Bond Count	40
Aromatic Bond Count	6

2D diagram of OK1

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Chemical Component Summary
Name	3-[5-chloro-6-(cyclobutylmethoxy)-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl]propanoic acid
Systematic Name (OpenEye OEToolkits)	3-[5-chloranyl-6-(cyclobutylmethoxy)-2-oxidanylidene-1,3-benzoxazol-3-yl]propanoic acid
Formula	C₁₅ H₁₆ Cl N O₅
Molecular Weight	325.744
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	OC(=O)CCN1C(=O)Oc2cc(OCC3CCC3)c(Cl)cc12
SMILES	OpenEye OEToolkits	2.0.6	c1c2c(cc(c1Cl)OCC3CCC3)OC(=O)N2CCC(=O)O
Canonical SMILES	CACTVS	3.385	OC(=O)CCN1C(=O)Oc2cc(OCC3CCC3)c(Cl)cc12
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1c2c(cc(c1Cl)OCC3CCC3)OC(=O)N2CCC(=O)O
InChI	InChI	1.03	InChI=1S/C15H16ClNO5/c16-10-6-11-13(7-12(10)21-8-9-2-1-3-9)22-15(20)17(11)5-4-14(18)19/h6-7,9H,1-5,8H2,(H,18,19)
InChIKey	InChI	1.03	VZSAISDQEBTHJE-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	118174599
ChEMBL	CHEMBL3634600

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