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Chemical structure of Thrombin inhibitor 5

GC65938

Thrombin inhibitor 5

Also known as methyl 3-[(4-fluorobenzoyl)amino]-1H-1,2,4-triazole-5-carboxylate

Thrombin inhibitor 5 (compound 385) is a thrombin inhibitor, with IC50s ranging from 0·1 μM to 1 μM· Thrombin inhibitor 5 can be used for research of venous thromboembolism

ChemicalCAS328108-09-4MW264.21FormulaC11H9FN4O3
CAS number
328108-09-4
Molecular weight
264.21
Formula
C11H9FN4O3
Solubility
DMSO : 31·25 mg/mL (118·28 mM; ultrasonic and warming and heat to 80°C)
InChIKey
CYAQTWKBNHAHHY-UHFFFAOYSA-N
Catalogue number
GC65938
Brand
GLPBIO
Computed properties PubChem CID 2317506 · XLogP 1.4 · TPSA 97 Ų · H-bond donors 2
XLogP
1.4
TPSA
97 Ų
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
19

SMILES COC(=O)C1=NC(=NN1)NC(=O)C2=CC=C(C=C2)F

Computed descriptors from PubChem (CID 2317506), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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