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AG-690/40753789 is available in 24 mg

Compound details
Formula:		C25 H25 N5 O4 S2
Weight:		523.64
Chiral info:		Not available
Name:		ethyl 2-[({[4-(2-furylmethyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SMILES:		CCOC(=O)c5c1CCCCc1sc5(NC(=O)CSc4nnc(c2ccncc2)n4(Cc3ccco3))
InChI^TM:		InChI=1S/C25H25N5O4S2/c1-2-33-24(32)21-18-7-3-4-8-19(18)36-23(21)27-20(31)15-35-25-29-28-22(16-9-11-26-12-10-16)30(25)14-17-6-5-13-34-17/h5-6,9-13H,2-4,7-8,14-15H2,1H3,(H,27,31)
InChIKey^TM:		WVRVKMBINSCXBS-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		39700 mg/Kg
Chronic LOAEL:		1.02 mg/Kg

Chemical properties calculations
LogP:	4.96	H-acceptors: 8
LogS:	-7.25	H-donors: 1
tPSA:	165.68 Å²	Rotatable bonds: 11

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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.