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AG-690/36532008 is available in 17 mg

Compound details
MDL #:		MFCD00444671
Formula:		C13 H12 N4 O
Weight:		240.26
Chiral info:		Not available
Name:		4-[(1H-1,2,3-benzotriazol-1-ylmethyl)amino]phenol
SMILES:		Oc1ccc(cc1)NCn3nnc2ccccc23
InChI^TM:		InChI=1S/C13H12N4O/c18-11-7-5-10(6-8-11)14-9-17-13-4-2-1-3-12(13)15-16-17/h1-8,14,18H,9H2
InChIKey^TM:		FGZLHPMNJNFFNE-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		648 mg/Kg
Chronic LOAEL:		61.8 mg/Kg
AMES Mutagenicity:		1

Chemical properties calculations
LogP:	1.1	H-acceptors: 4
LogS:	-1.89	H-donors: 2
tPSA:	62.97 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.