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AK-968/40709071 is available in 99 mg

Compound details
MDL #:		MFCD03072364
Formula:		C12 H14 N4 O3 S
Weight:		294.33
Chiral info:		Not available
Name:		1-methyl-N-{4-[(methylamino)sulfonyl]phenyl}-1H-pyrazole-4-carboxamide
SMILES:		CNS(=O)(=O)c1ccc(cc1)NC(=O)c2cnn(C)c2
InChI^TM:		InChI=1S/C12H14N4O3S/c1-13-20(18,19)11-5-3-10(4-6-11)15-12(17)9-7-14-16(2)8-9/h3-8,13H,1-2H3,(H,15,17)
InChIKey^TM:		CYFCZLKERFKVCD-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		10900 mg/Kg
Chronic LOAEL:		29.4 mg/Kg
Developmental Toxicity Potential:		1

Chemical properties calculations
LogP:	0.86	H-acceptors: 7
LogS:	-2.08	H-donors: 2
tPSA:	101.47 Å²	Rotatable bonds: 5

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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.