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AE-641/30114001 is available in 477 mg

Compound details
MDL #:		MFCD01703496
Formula:		C19 H20 Cl F N2 S
Weight:		362.9
Salt Data:		cis-HOOCCHCHCOOH
Chiral info:		Not available
Name:		1-(8-chloro-2-fluoro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-methylpiperazine
SMILES:		CN1CCN(CC1)C3Cc2cc(F)ccc2Sc4ccc(cc34)Cl
InChI^TM:		InChI=1S/C19H20ClFN2S/c1-22-6-8-23(9-7-22)17-11-13-10-15(21)3-5-18(13)24-19-4-2-14(20)12-16(17)19/h2-5,10,12,17H,6-9,11H2,1H3
InChIKey^TM:		AJXGZNWTRBHLQF-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		475 mg/Kg
Chronic LOAEL:		8.93 mg/Kg
Developmental Toxicity Potential:		0.98

Chemical properties calculations
LogP:	4.84	H-acceptors: 2
LogS:	-6.08
tPSA:	31.78 Å²	Rotatable bonds: 1

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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.