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AF-399/15335351 is available in 53 mg

Compound details
MDL #:		MFCD02328891
Formula:		C21 H32 N2 O3 S
Weight:		392.56
Salt Data:		oxalic acid
Chiral info:		Not available
Name:		ethyl 2-{[3-(1-azepanyl)propanoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SMILES:		CCOC(=O)c3c1CCC(C)Cc1sc3(NC(=O)CCN2CCCCCC2)
InChI^TM:		InChI=1S/C21H32N2O3S/c1-3-26-21(25)19-16-9-8-15(2)14-17(16)27-20(19)22-18(24)10-13-23-11-6-4-5-7-12-23/h15H,3-14H2,1-2H3,(H,22,24)
InChIKey^TM:		VNWVEUVEWSPJLR-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		20800 mg/Kg
Chronic LOAEL:		3.34 mg/Kg
Developmental Toxicity Potential:		0.46

Chemical properties calculations
LogP:	5.18	H-acceptors: 5
LogS:	-6.48	H-donors: 1
tPSA:	86.88 Å²	Rotatable bonds: 8

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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.