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AO-365/40085441 is available in 142 mg

Compound details
MDL #:		MFCD05087591
Formula:		C17 H12 N4 S
Weight:		304.38
Chiral info:		Not available
Name:		3-phenyl-6-(2-phenylvinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILES:		c1ccc(cc1)C=CC3=Nn2c(nnc2S3)c4ccccc4
InChI^TM:		InChI=1S/C17H12N4S/c1-3-7-13(8-4-1)11-12-15-20-21-16(18-19-17(21)22-15)14-9-5-2-6-10-14/h1-12H
InChIKey^TM:		XCVQAHLOOVAPCN-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		1710 mg/Kg
Chronic LOAEL:		13700 mg/Kg
AMES Mutagenicity:		1

Chemical properties calculations
LogP:	4.24	H-acceptors: 4
LogS:	-5.04
tPSA:	68.37 Å²	Rotatable bonds: 3

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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.