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AG009CFM

Name: WEHI-539
Brand: Angene Chemical
SKU: AG009CFM

1431866-33-9 | WEHI-539

Chemical structure of WEHI-539 , CAS 1431866-33-9

AG009CFM

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CAS Number	1431866-33-9
Catalog Number	AG009CFM(AGN-PC-0WNO4L)
Chemical Name	WEHI-539
IUPAC Name	5-[3-[4-(aminomethyl)phenoxy]propyl]-2-[(8E)-8-(1,3-benzothiazol-2-ylhydrazinylidene)-6,7-dihydro-5H-naphthalen-2-yl]-1,3-thiazole-4-carboxylic acid
InChI	InChI=1S/C31H29N5O3S2/c32-18-19-10-14-22(15-11-19)39-16-4-9-27-28(30(37)38)34-29(40-27)21-13-12-20-5-3-7-24(23(20)17-21)35-36-31-33-25-6-1-2-8-26(25)41-31/h1-2,6,8,10-15,17H,3-5,7,9,16,18,32H2,(H,33,36)(H,37,38)/b35-24+
InChI Key	JKMWZKPAXZBYEH-JWHWKPFMSA-N
MDL Number	MFCD25372044
Molecular Formula	C31H29N5O3S2
Molecular Weight	583.7237
SMILES	[H]N(/N=C1C(C=C(C2=NC(C(O)=O)=C(CCCOC3=CC=C(CN)C=C3)S2)C=C4)=C4CCC/1)C5=NC6=CC=CC=C6S5
Synonyms	WEHI-539, 1431866-33-9, CHEMBL3342187, 5-(3-(4-(Aminomethyl)phenoxy)propyl)-2-(8-(2-(benzo[d]thiazol-2-yl)hydrazono)-5,6,7,8-tetrahydronaphthalen-2-yl)thiazole-4-carboxylic acid, 5-{3-[4-(Aminomethyl)phenoxy]propyl}-2-{(8E)-8-[2-(1,3-benzothiazol-2-yl)hydrazinylidene]-5,6,7,8-tetrahydronaphthalen-2-yl}-1,3-thiazole-4-carboxylic acid, WEHI539, SCHEMBL18244614, DTXSID20744277, BDBM109236, (E)-5-(3-(4-(aminomethyl)phenoxy)propyl)-2-(8-(2-(benzo[d]thiazol-2-yl)hydrazono)-5,6,7,8-tetrahydronaphthalen-2-yl)thiazole-4-carboxylic acid, EX-A1595, BDBM50030764, AKOS030526532, ZINC100285165, CS-1330, SB18858, WEHI-539 ( CT-WE539), NCGC00379003-03, NCGC00379003-09, AS-16781, BC600695, HY-15607, A13005, W-6058, JKMWZKPAXZBYEH-JWHWKPFMSA-N, A3935, 5-[3-[4-(Aminomethyl)phenoxy]propyl]-2-[(8e)-8-(1,3-Benzothiazol-2-Ylhydrazinylidene)-6,7-Dihydro-5h-Naphthalen-2-Yl]-1,3-Thiazole-4-Carboxylic Acid,

Complexity	903
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	583.171g/mol
Formal Charge	0
Heavy Atom Count	41
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	583.725g/mol
Monoisotopic Mass	583.171g/mol
Rotatable Bond Count	10
Topological Polar Surface Area	179A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.4

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Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

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Reviewed by:Jessie

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Angene International Limited