Smiles	S(=O)(=O)(OC4(=CC=C(CC(NC(=O)C(N)CC(=O)O)C(=O)C(NC(=O)C3(N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C2(N(C(=O)C1(N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CN)CS)CS)CO)CC(C)C)CCC1))CCC2))CS)C)CC(C)C)CO)CC(=O)N)CCC3))(C(=O)N)CS)C=C4))O
CAS number	157998-82-8
Polar Surface Area	841,26
calculated LogS	-4,927
Molweight	1721,99
calculated LogP	-15,036
H-Acceptors	43
H-Donors	19
Ro5 violations	3
Druglikeness	0,37711
DrugScore	0,3023534
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Fish Toxicity	High FHMT
Fish Toxicity2	1,507
Rat Acute Toxicity	2,6249
Acute Oral Toxicity	III
Caco-2 Permeability	Caco2-
Caco-2 Permeability2	-0,0536
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	Non-inhibitor
CYP450 2C9 Substrate	Non-substrate
Tetrahymena Pyriformis Toxicity	High TPT
Tetrahymena Pyriformis Toxicity2	0,3876
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	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	157998-82-8