Smiles	[Br]C6(=CC=C(CC(NC(=O)C(NC=O)C)C(=O)N5(C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC1(C(=O)N(C(C(=O)NC(C(=O)N2(CCCC2(C(NC(C(OC1C)=O)CC(=O)N)=O)))C(C)C)CCC(=O)N)C))CS(=O)(=O)O)CCCNC(=N)N)CC=4(C3(=C(C=CC=C3)NC=4)))C(CC)(C)C)C(C)(C)C)CCC5))C=C6)
CAS number	138877-62-0
Polar Surface Area	604,85
calculated LogS	-6,98
Molweight	1709,78
calculated LogP	-3,6743
H-Acceptors	39
H-Donors	17
Ro5 violations	3
Druglikeness	-7,3221
DrugScore	0,1402455
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Fish Toxicity	High FHMT
Fish Toxicity2	1,3705
Rat Acute Toxicity	2,6491
Acute Oral Toxicity	III
Caco-2 Permeability	Caco2-
Caco-2 Permeability2	-0,3601
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	0,5559
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	138877-62-0