709

N-(7-CARBAMIMIDOYL-NAPHTHALEN-1-YL)-3-HYDROXY-2-METHYL-BENZAMIDE

Created:	2005-06-02
Last modified:	2021-03-01

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1 entries where 709 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	41
Chiral Atom Count	0
Bond Count	43
Aromatic Bond Count	17

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Chemical Component Summary
Name	N-(7-CARBAMIMIDOYL-NAPHTHALEN-1-YL)-3-HYDROXY-2-METHYL-BENZAMIDE
Synonyms	N-{7-[AMINO(IMINO)METHYL]-1-NAPHTHYL}-3-HYDROXY-2-METHYLBENZAMIDE
Systematic Name (OpenEye OEToolkits)	N-(7-carbamimidoylnaphthalen-1-yl)-3-hydroxy-2-methyl-benzamide
Formula	C₁₉ H₁₇ N₃ O₂
Molecular Weight	319.357
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(c1cccc(O)c1C)Nc3c2cc(C(=[N@H])N)ccc2ccc3
SMILES	CACTVS	3.341	Cc1c(O)cccc1C(=O)Nc2cccc3ccc(cc23)C(N)=N
SMILES	OpenEye OEToolkits	1.5.0	[H]N=C(c1ccc2cccc(c2c1)NC(=O)c3cccc(c3C)O)N
Canonical SMILES	CACTVS	3.341	Cc1c(O)cccc1C(=O)Nc2cccc3ccc(cc23)C(N)=N
Canonical SMILES	OpenEye OEToolkits	1.5.0	[H]/N=C(\c1ccc2cccc(c2c1)NC(=O)c3cccc(c3C)O)/N
InChI	InChI	1.03	InChI=1S/C19H17N3O2/c1-11-14(5-3-7-17(11)23)19(24)22-16-6-2-4-12-8-9-13(18(20)21)10-15(12)16/h2-10,23H,1H3,(H3,20,21)(H,22,24)
InChIKey	InChI	1.03	NNGZRCYXFBHMRM-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	DB07212
Name	N-(7-CARBAMIMIDOYL-NAPHTHALEN-1-YL)-3-HYDROXY-2-METHYL-BENZAMIDE
Groups	experimental
Synonyms	N-(7-CARBAMIMIDOYL-NAPHTHALEN-1-YL)-3-HYDROXY-2-METHYL-BENZAMIDE

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
Coagulation factor XI	MIFLYQVVHFILFTSVSGECVTQLLKDTCFEGGDITTVFTPSAKYCQVVC...	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