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OC1(C=CC(C1O)N3(C2(=NC=NC(=C2N=C3)N)))

Molecule Name:	1468
Refractivity:	61.44
Resonant Structures:	171
topological PSA:	110.08
ASA hydrophobic:	192.09
ASA polar:	136.92
Accessible Surface Area:	329.01
cLogS:	-1.452
MW:	233.23
cLogP:	-0.692
H-Acceptors:	7
H-Donors:	3
Ro5 violations:	0
DrugScore:	0.890601319
Druglikeness:	1.7006
Irritant:	none
Mutagenic:	none
Reproductive Effective:	none
Tumorigenic:	none
Fish Toxicity:	High FHMT
Fish Toxicity2:	1.5117
Rat Acute Toxicity:	2.5712
Acute Oral Toxicity:	III
Caco-2 Permeability:	Caco2-
Caco-2 Permeability2:	0.6364
P-glycoprotein Inhibitor2:	Non-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:	0.3505
AMES Toxicity:	AMES toxic
CYP450 3A4 Inhibitor:	Non-substrate
CYP450 3A4 Substrate:	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+

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