COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK681511
Chemical Name: N-[(2E)-4-(4-ethoxyphenyl)-3-ethyl-1,3-thiazol-2(3H)-ylidene]-4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)aniline
Smiles: CCOc1ccc(cc1)c1cs/c(=N/c2ccc(cc2)c2nnc3n2CCCCC3)/n1CC

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Saltdata: HBr
Molecular Weight: 459.62
Empirical Formula: C26H29N5OS

Physical State: Dry powder
Available Amount: 3 mg

Lipinsky:
logP: 6.593
Rotatable bonds: 2
H-donors: 0
H-acceptors: 1
PSA: 80
Number of rings: 5

     

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