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AK-968/37032045 is available in 387 mg

Compound details
MDL #:		MFCD01244333
Formula:		C20 H19 Cl N2 O S2
Weight:		402.97
Chiral info:		Not available
Name:		N-(8-chloro-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene)-N-(4-ethoxyphenyl)amine
SMILES:		CCOc1ccc(cc1)N=C3C=2c4cc(ccc4(NC(C)(C)C=2SS3))Cl
InChI^TM:		InChI=1S/C20H19ClN2OS2/c1-4-24-14-8-6-13(7-9-14)22-19-17-15-11-12(21)5-10-16(15)23-20(2,3)18(17)25-26-19/h5-11,23H,4H2,1-3H3
InChIKey^TM:		WBLNHWKRANMUFX-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		171000 mg/Kg
Chronic LOAEL:		0.957 mg/Kg
AMES Mutagenicity:		1
Developmental Toxicity Potential:		1

Chemical properties calculations
LogP:	Could not be calculated	H-acceptors: 2
LogS:	Could not be calculated	H-donors: 1
tPSA:	84.22 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.