Smiles	[Br]C2(=CC=1(N(C=3(C=NC=CC=3(C=1C=C2)))CC=4(N=CNC=4S(=O)C)))
CAS number	168434-23-9
Polar Surface Area	82,78
calculated LogS	-2,327
Molweight	389,276
calculated LogP	2,0477
H-Acceptors	5
H-Donors	1
Ro5 violations	0
Druglikeness	1,2135
DrugScore	0,7481249
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Fish Toxicity	High FHMT
Fish Toxicity2	1,4942
Rat Acute Toxicity	2,4593
Acute Oral Toxicity	III
Caco-2 Permeability	Caco2+
Caco-2 Permeability2	0,9372
P-glycoprotein Substrate	Non-substrate
P-glycoprotein Inhibitor	Inhibitor
P-glycoprotein Inhibitor2	Non-inhibitor
Human Ether-a-go-go-Related Gene Inhibition	Weak inhibitor
Human Ether-a-go-go-Related Gene Inhibition2	Inhibitor
CYP450 2C9 Substrate	Non-substrate
Tetrahymena Pyriformis Toxicity	High TPT
Tetrahymena Pyriformis Toxicity2	0,6887
AMES Toxicity	Non AMES toxic
CYP450 3A4 Substrate	Substrate
CYP450 3A4 Inhibitor	Inhibitor
CYP450 2C19 Inhibitor	Non-inhibitor
CYP450 2C9 Inhibitor	Non-inhibitor
CYP450 2D6 Inhibitor	Non-inhibitor
CYP450 1A2 Inhibitor	Inhibitor
CYP450 2D6 Substrate	Non-substrate
Biodegradation	Not ready biodegradable
Carcinogens	Non-carcinogens
Blood-Brain Barrier	BBB+
CYP Inhibitory Promiscuity	High CYP Inhibitory Promiscuity
Honey Bee Toxicity	Low HBT
Renal Organic Cation Transporter	Inhibitor
Carcinogenicity (Three-class)	Non-required
Human Intestinal Absorption	HIA+
Structure	168434-23-9