PF7

4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid

Created:	2008-07-22
Last modified:	2024-09-27

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1 entries where PF7 is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	38
Chiral Atom Count	0
Bond Count	40
Aromatic Bond Count	11

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Chemical Component Summary
Name	4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid
Systematic Name (OpenEye OEToolkits)	4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid
Formula	C₁₆ H₁₈ N₂ O₂
Molecular Weight	270.326
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)N3CCC(Cc1cc2ccccc2nc1)CC3
SMILES	CACTVS	3.341	OC(=O)N1CCC(CC1)Cc2cnc3ccccc3c2
SMILES	OpenEye OEToolkits	1.5.0	c1ccc2c(c1)cc(cn2)CC3CCN(CC3)C(=O)O
Canonical SMILES	CACTVS	3.341	OC(=O)N1CCC(CC1)Cc2cnc3ccccc3c2
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccc2c(c1)cc(cn2)CC3CCN(CC3)C(=O)O
InChI	InChI	1.03	InChI=1S/C16H18N2O2/c19-16(20)18-7-5-12(6-8-18)9-13-10-14-3-1-2-4-15(14)17-11-13/h1-4,10-12H,5-9H2,(H,19,20)
InChIKey	InChI	1.03	QUAGUFNCKDDJFZ-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	DB08385
Name	4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid
Groups	experimental
Synonyms	4-(quinolin-3-ylmethyl)piperidine-1-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
Fatty-acid amide hydrolase 1	MVQYELWAALPGASGVALACCFVAAAVALRWSGRRTARGAVVRARQRQRA...	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