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AF-399/41725099 is available in 76 mg

Compound details
MDL #:		MFCD03837888
Formula:		C25 H21 N7 O2
Weight:		451.49
Chiral info:		Not available
Name:		2-imino-10-methyl-5-oxo-N-(3-pyridinylmethyl)-1-(4-pyridinylmethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide
SMILES:		CC2=CC=CN3C(=O)C=4C=C(C(=N)N(Cc1ccncc1)C=4(N=C23))C(=O)NCc5cccnc5
InChI^TM:		InChI=1S/C25H21N7O2/c1-16-4-3-11-31-22(16)30-23-20(25(31)34)12-19(24(33)29-14-18-5-2-8-28-13-18)21(26)32(23)15-17-6-9-27-10-7-17/h2-13,26H,14-15H2,1H3,(H,29,33)
InChIKey^TM:		DGIRIEXRFYFTNO-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		48.6 mg/Kg
Chronic LOAEL:		1140 mg/Kg
AMES Mutagenicity:		1
Developmental Toxicity Potential:		1

Chemical properties calculations
LogP:	-0.3	H-acceptors: 9
LogS:	-2.24	H-donors: 2
tPSA:	114.64 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.