F9Z

2-(2-chlorophenyl)-8-[(3~{R},4~{R})-1-methyl-3-oxidanyl-piperidin-4-yl]-5,7-bis(oxidanyl)chromen-4-one

Created:	2018-06-19
Last modified:	2018-12-05

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2 entries where F9Z is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	48
Chiral Atom Count	2
Bond Count	51
Aromatic Bond Count	12

2D diagram of F9Z

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Chemical Component Summary
Name	2-(2-chlorophenyl)-8-[(3~{R},4~{R})-1-methyl-3-oxidanyl-piperidin-4-yl]-5,7-bis(oxidanyl)chromen-4-one
Systematic Name (OpenEye OEToolkits)	2-(2-chlorophenyl)-8-[(3~{R},4~{R})-1-methyl-3-oxidanyl-piperidin-4-yl]-5,7-bis(oxidanyl)chromen-4-one
Formula	C₂₁ H₂₀ Cl N O₅
Molecular Weight	401.84
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CN1CC[CH]([CH](O)C1)c2c(O)cc(O)c3C(=O)C=C(Oc23)c4ccccc4Cl
SMILES	OpenEye OEToolkits	2.0.6	CN1CCC(C(C1)O)c2c(cc(c3c2OC(=CC3=O)c4ccccc4Cl)O)O
Canonical SMILES	CACTVS	3.385	CN1CC[C@@H]([C@@H](O)C1)c2c(O)cc(O)c3C(=O)C=C(Oc23)c4ccccc4Cl
Canonical SMILES	OpenEye OEToolkits	2.0.6	CN1CC[C@@H]([C@H](C1)O)c2c(cc(c3c2OC(=CC3=O)c4ccccc4Cl)O)O
InChI	InChI	1.03	InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17-/m0/s1
InChIKey	InChI	1.03	BIIVYFLTOXDAOV-SJCJKPOMSA-N

Related Resource References

Resource Name	Reference
PubChem	6602328
ChEMBL	CHEMBL1709089

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.