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AG-205/11846116 is available in 65 mg

Compound details
MDL #:		MFCD01460190
Formula:		C27 H36 N4 O S
Weight:		464.67
Chiral info:		Not available
Name:		2-[({4-allyl-5-[4-(decyloxy)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]pyridine
SMILES:		CCCCCCCCCCOc1ccc(cc1)c2nnc(n2(CC=C))SCc3ccccn3
InChI^TM:		InChI=1S/C27H36N4OS/c1-3-5-6-7-8-9-10-13-21-32-25-17-15-23(16-18-25)26-29-30-27(31(26)20-4-2)33-22-24-14-11-12-19-28-24/h4,11-12,14-19H,2-3,5-10,13,20-22H2,1H3
InChIKey^TM:		NKHZZZCFQXCURY-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		6.85 mg/Kg
Chronic LOAEL:		7.88 mg/Kg

Chemical properties calculations
LogP:	8.56	H-acceptors: 4
LogS:	-8.6
tPSA:	78.13 Å²	Rotatable bonds: 16

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Disclaimer: Predicted physical and biological properties, such as toxicity, mentioned on this website are indicative only and may not be relied upon in any way. Liability for damages of any kind resulting from reliance on these properties is expressly rejected.