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AE-641/00652063 is available in 1054 mg

Compound details
MDL #:		MFCD02068679
Formula:		C24 H30 N2 S2
Weight:		410.65
Chiral info:		Not available
Name:		1-methyl-4-(7-(1-methyl-4-piperidinyl)thieno[2,3-c][2]benzothiepin-4(9H)-ylidene)piperidine
SMILES:		CN1CCC(CC1)c2ccc5c(c2)CSc3c(ccs3)C5(=C4CCN(C)CC4)
InChI^TM:		InChI=1S/C24H30N2S2/c1-25-10-5-17(6-11-25)19-3-4-21-20(15-19)16-28-24-22(9-14-27-24)23(21)18-7-12-26(2)13-8-18/h3-4,9,14-15,17H,5-8,10-13,16H2,1-2H3
InChIKey^TM:		PXBUMRNTQFETAB-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		37 mg/Kg
Chronic LOAEL:		1 mg/Kg
AMES Mutagenicity:		1

Chemical properties calculations
LogP:	5.81	H-acceptors: 2
LogS:	-7.25
tPSA:	60.02 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.