Smiles	O=C(N3(C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CN1(C2(=N(CCC1)CCC2)))CC(C)C)(CC)C)CC(C)C)C)(C)C)CCCC3))C(NC(=O)C(NC(=O)CNC(=O)CCNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C5(N(C(=O)C(NC(=O)C4(N(C(=O)C)CCCC4))(C)C)CCCC5))(C)C)(C)C)CC(C)C)(C)C)(C)C
CAS number	131353-66-7
Polar Surface Area	454,83
calculated LogS	-6,496
Molweight	1635,13
calculated LogP	1,7946
H-Acceptors	34
H-Donors	13
Ro5 violations	3
Druglikeness	7,0882
DrugScore	0,2898734
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Fish Toxicity	High FHMT
Fish Toxicity2	1,6611
Rat Acute Toxicity	2,7989
Acute Oral Toxicity	III
Caco-2 Permeability	Caco2-
Caco-2 Permeability2	-0,462
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	Inhibitor
CYP450 2C9 Substrate	Non-substrate
Tetrahymena Pyriformis Toxicity	High TPT
Tetrahymena Pyriformis Toxicity2	0,4362
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	131353-66-7