Smiles	[Br]C5(=CC=C(CC(NC(=O)C(NC=O)C)C(=O)N4(C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)N)CC1(=CC=CC=C1))CCC(=O)N)C)C(O)C)CS(=O)(=O)O)CCCNC(=N)N)CC=3(C2(=C(C=CC=C2)NC=3)))C(C)(C)C)C(C)C)CCC4))C=C5)
CAS number	172519-51-6
Polar Surface Area	549,37
calculated LogS	-6,698
Molweight	1535,58
calculated LogP	-3,3897
H-Acceptors	34
H-Donors	17
Ro5 violations	3
Druglikeness	-5,5928
DrugScore	0,1448606
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Fish Toxicity	High FHMT
Fish Toxicity2	1,4013
Rat Acute Toxicity	2,6079
Acute Oral Toxicity	III
Caco-2 Permeability	Caco2-
Caco-2 Permeability2	-0,4511
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	0,5465
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	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	172519-51-6