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AG-690/40639046 is available in 21 mg

Compound details
Formula:		C19 H21 N O4 S
Weight:		359.44
Chiral info:		Not available
Name:		diallyl 2,6-dimethyl-4-thien-2-yl-1,4-dihydropyridine-3,5-dicarboxylate
SMILES:		C=CCOC(=O)C2=C(C)NC(C)=C(C(=O)OCC=C)C2(c1cccs1)
InChI^TM:		InChI=1S/C19H21NO4S/c1-5-9-23-18(21)15-12(3)20-13(4)16(19(22)24-10-6-2)17(15)14-8-7-11-25-14/h5-8,11,17,20H,1-2,9-10H2,3-4H3
InChIKey^TM:		YPAPIJFUXOXCKD-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		2230 mg/Kg
Chronic LOAEL:		0.633 mg/Kg
Developmental Toxicity Potential:		1

Chemical properties calculations
LogP:	4.19	H-acceptors: 5
LogS:	-4.39	H-donors: 1
tPSA:	92.87 Å²	Rotatable bonds: 9

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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.