H1N

N-[2-OXO-3-((E)-PHENYL{[4-(PIPERIDIN-1-YLMETHYL)PHENYL]IMINO}METHYL)-2,6-DIHYDRO-1H-INDOL-5-YL]ETHANESULFONAMIDE

Created:	2004-12-15
Last modified:	2021-03-01

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3 entries where H1N is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	69
Chiral Atom Count	0
Bond Count	73
Aromatic Bond Count	22

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Chemical Component Summary
Name	N-[2-OXO-3-((E)-PHENYL{[4-(PIPERIDIN-1-YLMETHYL)PHENYL]IMINO}METHYL)-2,6-DIHYDRO-1H-INDOL-5-YL]ETHANESULFONAMIDE
Synonyms	HESPERADIN
Systematic Name (OpenEye OEToolkits)	N-[2-oxo-3-[C-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]carbonimidoyl]-1,3-dihydroindol-5-yl]ethanesulfonamide
Formula	C₂₉ H₃₂ N₄ O₃ S
Molecular Weight	516.654
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=S(=O)(Nc1ccc2c(c1)C(C(=O)N2)C(=N/c3ccc(cc3)CN4CCCCC4)/c5ccccc5)CC
SMILES	CACTVS	3.341	CC[S](=O)(=O)Nc1ccc2NC(=O)[CH](c2c1)C(=Nc3ccc(CN4CCCCC4)cc3)c5ccccc5
SMILES	OpenEye OEToolkits	1.5.0	CCS(=O)(=O)Nc1ccc2c(c1)C(C(=O)N2)C(=Nc3ccc(cc3)CN4CCCCC4)c5ccccc5
Canonical SMILES	CACTVS	3.341	CC[S](=O)(=O)Nc1ccc2NC(=O)[C@@H](c2c1)C(=Nc3ccc(CN4CCCCC4)cc3)c5ccccc5
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCS(=O)(=O)Nc1ccc2c(c1)C(C(=O)N2)/C(=N/c3ccc(cc3)CN4CCCCC4)/c5ccccc5
InChI	InChI	1.03	InChI=1S/C29H32N4O3S/c1-2-37(35,36)32-24-15-16-26-25(19-24)27(29(34)31-26)28(22-9-5-3-6-10-22)30-23-13-11-21(12-14-23)20-33-17-7-4-8-18-33/h3,5-6,9-16,19,27,32H,2,4,7-8,17-18,20H2,1H3,(H,31,34)/b30-28+/t27-/m0/s1
InChIKey	InChI	1.03	SGZZQKMOFHIDKW-MCKMWFOCSA-N

Drug Info: DrugBank

DrugBank ID	DB04703
Name	Hesperidin
Groups	approved investigational
Description	Hesperidin is a flavan-on glycoside found in citrus fruits.
Synonyms	Hesperetin 7-O-rutinoside Hesperidina Cirantin Hesperidoside (S)-(−)-hesperidin Hesperidin Ciratin
Brand Names	Cilobana Cpa Tab Rose Hips 500plus Nu Life Special C
Categories	Benzopyrans Carbohydrates Chromones Flavanones Flavonoids Glycosides Heterocyclic Compounds, Fused-Ring Pyrans
CAS number	520-26-3

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Aurora kinase B	MAQKENSYPWPYGRQTAPSGLSTLPQRVLRKEPVTPSALVLMSRSNVQPT...	unknown	regulator

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