Smiles	O=C(OC2(C1(C=5(C(C=CC1C3(CCC4(C(C3(C2))(CCCC4(C)C)C))(C))=CN(C=5)CCCCN6(C=C7(C=CC8(C(C7(=C6))(C(OC(=O)C)CC9(C8(CCC%10(C9(CCCC%10(C)C)C))C))C)))))(C)))C
CAS number	64421-20-1
Polar Surface Area	62,46
calculated LogS	-10,7
Molweight	873,315
calculated LogP	11,192
H-Acceptors	6
H-Donors	0
Ro5 violations	2
Druglikeness	-0,96606
DrugScore	0,0810568
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Fish Toxicity	High FHMT
Fish Toxicity2	0,2905
Rat Acute Toxicity	2,3797
Acute Oral Toxicity	III
Caco-2 Permeability	Caco2+
Caco-2 Permeability2	0,8669
P-glycoprotein Substrate	Substrate
P-glycoprotein Inhibitor	Inhibitor
P-glycoprotein Inhibitor2	Inhibitor
Human Ether-a-go-go-Related Gene Inhibition	Weak inhibitor
Human Ether-a-go-go-Related Gene Inhibition2	Non-inhibitor
CYP450 2C9 Substrate	Non-substrate
Tetrahymena Pyriformis Toxicity	High TPT
Tetrahymena Pyriformis Toxicity2	1,1072
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	Non-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	64421-20-1