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AN-655/14614026 is available in 163 mg

Compound details
MDL #:		MFCD02182601
Formula:		C21 H16 Cl N3 O2 S
Weight:		409.9
Chiral info:		Not available
Name:		1-allyl-3-{2-[(3-chloro-4-methylphenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene}-1,3-dihydro-2H-indol-2-one
SMILES:		C=CCN2C(=O)C(c1ccccc12)=C4C(=O)NC(=Nc3ccc(C)c(c3)Cl)S4
InChI^TM:		InChI=1S/C21H16ClN3O2S/c1-3-10-25-16-7-5-4-6-14(16)17(20(25)27)18-19(26)24-21(28-18)23-13-9-8-12(2)15(22)11-13/h3-9,11H,1,10H2,2H3,(H,23,24,26)
InChIKey^TM:		KGNOVCNOGNYPQF-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		3640 mg/Kg
Chronic LOAEL:		415 mg/Kg

Chemical properties calculations
LogP:	3.91	H-acceptors: 5
LogS:	-5.52	H-donors: 1
tPSA:	87.07 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.