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AG-690/40135604 is available in 39 mg

Compound details
MDL #:		MFCD00395039
Formula:		C17 H15 Br N4 S
Weight:		387.3
Chiral info:		Not available
Name:		2-bromobenzaldehyde 5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylhydrazone
SMILES:		c1ccc(c(c1)C=NNc2ncnc4c2c3CCCCc3s4)Br
InChI^TM:		InChI=1S/C17H15BrN4S/c18-13-7-3-1-5-11(13)9-21-22-16-15-12-6-2-4-8-14(12)23-17(15)20-10-19-16/h1,3,5,7,9-10H,2,4,6,8H2,(H,19,20,22)
InChIKey^TM:		XXQUHPYPOAXEOL-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		652 mg/Kg
Chronic LOAEL:		206 mg/Kg
Developmental Toxicity Potential:		1

Chemical properties calculations
LogP:	5	H-acceptors: 4
LogS:	-6.29	H-donors: 1
tPSA:	78.41 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.