Smiles	O=C8(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N1(C(C(=O)NCC(=O)N)CCC1))CC(C)C)CC=3(C2(=C(C=CC=C2)NC=3)))CC=4(N=CNC=4))CO)CC=6(C5(=C(C=CC=C5)NC=6)))CC=7(N=CNC=7))CC8)
CAS number	101509-61-9
Polar Surface Area	434,47
calculated LogS	-4,8
Molweight	1186,3
calculated LogP	-4,1529
H-Acceptors	29
H-Donors	15
Ro5 violations	3
Druglikeness	11,152
DrugScore	0,3875379
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Fish Toxicity	High FHMT
Fish Toxicity2	1,6533
Rat Acute Toxicity	2,5211
Acute Oral Toxicity	III
Caco-2 Permeability	Caco2-
Caco-2 Permeability2	-0,4085
P-glycoprotein Substrate	Substrate
P-glycoprotein Inhibitor	Non-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	0,379
AMES Toxicity	Non AMES toxic
CYP450 3A4 Substrate	Substrate
CYP450 3A4 Inhibitor	Non-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	Low CYP Inhibitory Promiscuity
Honey Bee Toxicity	Low HBT
Renal Organic Cation Transporter	Non-inhibitor
Carcinogenicity (Three-class)	Non-required
Human Intestinal Absorption	HIA+
Structure	101509-61-9