Smiles	O=C6(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N1(C(C(=O)NCC(=O)N)CCC1))CCC(=O)N)CC(C)C)CC2(=CC=C(O)C=C2))CO)CC=4(C3(=C(C=CC=C3)NC=4)))CC=5(NC=NC=5))CC6)
CAS number	47922-48-5
Polar Surface Area	453,32
calculated LogS	-4,096
Molweight	1154,25
calculated LogP	-4,9594
H-Acceptors	29
H-Donors	15
Ro5 violations	3
Druglikeness	11,304
DrugScore	0,4280965
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Fish Toxicity	High FHMT
Fish Toxicity2	1,5234
Rat Acute Toxicity	2,6032
Acute Oral Toxicity	III
Caco-2 Permeability	Caco2-
Caco-2 Permeability2	-0,1577
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	0,3484
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	47922-48-5