FLG

FLUORESCEINYLTHIOUREIDO

Created:	2003-02-07
Last modified:	2011-06-04

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1 entries where FLG is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	49
Chiral Atom Count	0
Bond Count	52
Aromatic Bond Count	23

2D diagram of FLG

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Chemical Component Summary
Name	FLUORESCEINYLTHIOUREIDO
Systematic Name (OpenEye OEToolkits)	5-(ethylcarbamothioylamino)-2-(3-hydroxy-6-oxo-xanthen-9-yl)benzoic acid
Formula	C₂₃ H₁₈ N₂ O₅ S
Molecular Weight	434.464
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	S=C(NCC)Nc4ccc(C=1c3c(OC=2C=1C=CC(=O)C=2)cc(O)cc3)c(C(=O)O)c4
SMILES	CACTVS	3.341	CCNC(=S)Nc1ccc(c(c1)C(O)=O)C2=C3C=CC(=O)C=C3Oc4cc(O)ccc24
SMILES	OpenEye OEToolkits	1.5.0	CCNC(=S)Nc1ccc(c(c1)C(=O)O)C2=C3C=CC(=O)C=C3Oc4c2ccc(c4)O
Canonical SMILES	CACTVS	3.341	CCNC(=S)Nc1ccc(c(c1)C(O)=O)C2=C3C=CC(=O)C=C3Oc4cc(O)ccc24
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCNC(=S)Nc1ccc(c(c1)C(=O)O)C2=C3C=CC(=O)C=C3Oc4c2ccc(c4)O
InChI	InChI	1.03	InChI=1S/C23H18N2O5S/c1-2-24-23(31)25-12-3-6-15(18(9-12)22(28)29)21-16-7-4-13(26)10-19(16)30-20-11-14(27)5-8-17(20)21/h3-11,26H,2H2,1H3,(H,28,29)(H2,24,25,31)
InChIKey	InChI	1.03	VHJFQSRUDVDTEO-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB02455
Name	Fluoresceinylthioureido
Groups	experimental
Synonyms	Fluoresceinylthioureido

Related Resource References

Resource Name	Reference
PubChem	49866988

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.