Smiles	S(=O)(=O)(O)CC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C2(N(C(=O)C(NC(=O)C(NC=O)C)CC1(=CC=CC=C1))CCC2))C(C)(C)C)C(C)(C)C)CC=4(C3(=C(C=CC=C3)NC=4)))CCCNC(=N)N)C(=O)NC5(C(=O)N(C(C(=O)NC(C(=O)NC(C(O)C)C(NC(C(NCC(OC5C)=O)=O)CCC(=O)N)=O)CC(C)C)CCC(=O)N)C)
CAS number	94552-47-3
Polar Surface Area	662,97
calculated LogS	-6,03
Molweight	1705,95
calculated LogP	-6,0454
H-Acceptors	42
H-Donors	20
Ro5 violations	3
Druglikeness	-6,9523
DrugScore	0,1580352
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Fish Toxicity	High FHMT
Fish Toxicity2	1,4073
Rat Acute Toxicity	2,6294
Acute Oral Toxicity	III
Caco-2 Permeability	Caco2-
Caco-2 Permeability2	-0,5929
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	0,509
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	94552-47-3