PIC

6-(DIFLUORO-PHOSPHONO-METHYL)-NAPHTHALENE-2-CARBOXYLIC ACID

Created:	1999-08-25
Last modified:	2011-06-04

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1 entries where PIC is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	29
Chiral Atom Count	0
Bond Count	30
Aromatic Bond Count	11

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Chemical Component Summary
Name	6-(DIFLUORO-PHOSPHONO-METHYL)-NAPHTHALENE-2-CARBOXYLIC ACID
Systematic Name (OpenEye OEToolkits)	6-(difluoro-phosphono-methyl)naphthalene-2-carboxylic acid
Formula	C₁₂ H₉ F₂ O₅ P
Molecular Weight	302.167
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	FC(F)(c2ccc1c(ccc(c1)C(=O)O)c2)P(=O)(O)O
SMILES	CACTVS	3.341	OC(=O)c1ccc2cc(ccc2c1)C(F)(F)[P](O)(O)=O
SMILES	OpenEye OEToolkits	1.5.0	c1cc(cc2c1cc(cc2)C(F)(F)P(=O)(O)O)C(=O)O
Canonical SMILES	CACTVS	3.341	OC(=O)c1ccc2cc(ccc2c1)C(F)(F)[P](O)(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc(cc2c1cc(cc2)C(F)(F)P(=O)(O)O)C(=O)O
InChI	InChI	1.03	InChI=1S/C12H9F2O5P/c13-12(14,20(17,18)19)10-4-3-7-5-9(11(15)16)2-1-8(7)6-10/h1-6H,(H,15,16)(H2,17,18,19)
InChIKey	InChI	1.03	NKGNOWNPXBURRW-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

DrugBank ID	DB08397
Name	6-(DIFLUORO-PHOSPHONO-METHYL)-NAPHTHALENE-2-CARBOXYLIC ACID
Groups	experimental
Synonyms	6-(DIFLUORO-PHOSPHONO-METHYL)-NAPHTHALENE-2-CARBOXYLIC ACID

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

Name	Target Sequence	Pharmacological Action	Actions
Tyrosine-protein phosphatase non-receptor type 1	MEMEKEFEQIDKSGSWAAIYQDIRHEASDFPCRVAKLPKNKNRNRYRDVS...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682