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AG-690/40753439 is available in 23 mg

Compound details
Formula:		C27 H26 N4 O S
Weight:		454.6
Chiral info:		Not available
Name:		4,5-dibenzyl-4H-1,2,4-triazol-3-yl 2-(3,4-dihydro-1(2H)-quinolinyl)-2-oxoethyl sulfide
SMILES:		O=C(CSc3nnc(Cc1ccccc1)n3(Cc2ccccc2))N5CCCc4ccccc45
InChI^TM:		InChI=1S/C27H26N4OS/c32-26(30-17-9-15-23-14-7-8-16-24(23)30)20-33-27-29-28-25(18-21-10-3-1-4-11-21)31(27)19-22-12-5-2-6-13-22/h1-8,10-14,16H,9,15,17-20H2
InChIKey^TM:		RNTCVSGDKVKGRB-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		16600 mg/Kg
Chronic LOAEL:		3.04 mg/Kg

Chemical properties calculations
LogP:	5.91	H-acceptors: 5
LogS:	-7.56
tPSA:	76.32 Å²	Rotatable bonds: 8

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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.