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AK-968/12162046 is available in 74 mg

Compound details
MDL #:		MFCD01647678
Formula:		C21 H21 Cl N4 O S
Weight:		412.94
Chiral info:		Not available
Name:		6-(4-chlorophenyl)-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
SMILES:		CCCCCSc1nnc2c4ccccc4(NC(Oc2(n1))c3ccc(cc3)Cl)
InChI^TM:		InChI=1S/C21H21ClN4OS/c1-2-3-6-13-28-21-24-20-18(25-26-21)16-7-4-5-8-17(16)23-19(27-20)14-9-11-15(22)12-10-14/h4-5,7-12,19,23H,2-3,6,13H2,1H3
InChIKey^TM:		OLIROCKGWMYSEO-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		69 mg/Kg
Chronic LOAEL:		54.9 mg/Kg

Chemical properties calculations
LogP:	5.88	H-acceptors: 4
LogS:	-8.34	H-donors: 1
tPSA:	85.23 Å²	Rotatable bonds: 6

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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.