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Bioactive Small Molecules
rac 6-Chloro-1,4-dihydro-4-(1-pentynyl)-4-(trifluoromethyl)-2H-3,1-benzoxazin-2-one , CAS No.205755-86-8

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rac 6-Chloro-1,4-dihydro-4-(1-pentynyl)-4-(trifluoromethyl)-2H-3,1-benzoxazin-2-one , CAS No.205755-86-8

CAS#: 205755-86-8
Formula: C₁₄H₁₁ClF₃NO₂
Molecular Weight: 317.69
PubChem CID: 71314714

Item Number

R341364

Grouped product items
SKU	Size	Availability	Price	Qty
R341364-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$266.90

Basic Description

Shipped In	Normal

Associated Targets(Human)

CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

Discover Target: CYP1A2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP2B6 Tchem Cytochrome P450 2B6 (1338 Activities)

Discover Target: CYP2B6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP3A7 Tclin Cytochrome P450 3A7 (35 Activities)

Discover Target: CYP3A7

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Liver microsome (341 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	6-chloro-4-pent-1-ynyl-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one
INCHI	InChI=1S/C14H11ClF3NO2/c1-2-3-4-7-13(14(16,17)18)10-8-9(15)5-6-11(10)19-12(20)21-13/h5-6,8H,2-3H2,1H3,(H,19,20)
InChi Key	RNMIPUHUAVCLHQ-UHFFFAOYSA-N
Canonical SMILES	CCCC#CC1(C2=C(C=CC(=C2)Cl)NC(=O)O1)C(F)(F)F
Isomeric SMILES	CCCC#CC1(C2=C(C=CC(=C2)Cl)NC(=O)O1)C(F)(F)F
PubChem CID	71314714
Molecular Weight	317.69

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