BPD

N-(M-TRIFLUOROMETHYLPHENYL) PHENOXAZINE-4,6-DICARBOXYLIC ACID

Created:	2000-01-28
Last modified:	2011-06-04

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1 entries where BPD is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	42
Chiral Atom Count	0
Bond Count	45
Aromatic Bond Count	18

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Chemical Component Summary
Name	N-(M-TRIFLUOROMETHYLPHENYL) PHENOXAZINE-4,6-DICARBOXYLIC ACID
Systematic Name (OpenEye OEToolkits)	10-[3-(trifluoromethyl)phenyl]phenoxazine-4,6-dicarboxylic acid
Formula	C₂₁ H₁₂ F₃ N O₅
Molecular Weight	415.319
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	FC(F)(F)c4cc(N1c3c(Oc2c1cccc2C(=O)O)c(ccc3)C(=O)O)ccc4
SMILES	CACTVS	3.341	OC(=O)c1cccc2N(c3cccc(c3)C(F)(F)F)c4cccc(C(O)=O)c4Oc12
SMILES	OpenEye OEToolkits	1.5.0	c1cc(cc(c1)N2c3cccc(c3Oc4c2cccc4C(=O)O)C(=O)O)C(F)(F)F
Canonical SMILES	CACTVS	3.341	OC(=O)c1cccc2N(c3cccc(c3)C(F)(F)F)c4cccc(C(O)=O)c4Oc12
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc(cc(c1)N2c3cccc(c3Oc4c2cccc4C(=O)O)C(=O)O)C(F)(F)F
InChI	InChI	1.03	InChI=1S/C21H12F3NO5/c22-21(23,24)11-4-1-5-12(10-11)25-15-8-2-6-13(19(26)27)17(15)30-18-14(20(28)29)7-3-9-16(18)25/h1-10H,(H,26,27)(H,28,29)
InChIKey	InChI	1.03	NQOOJFXBGLOGTC-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB02698
Name	N-(M-Trifluoromethylphenyl) Phenoxazine-4,6-Dicarboxylic Acid
Groups	experimental
Synonyms	N-(M-Trifluoromethylphenyl) Phenoxazine-4,6-Dicarboxylic Acid

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Transthyretin	MASHRLLLLCLAGLVFVSEAGPTGTGESKCPLMVKVLDAVRGSPAINVAV...	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