COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL268609
Chemical Name: N-[(2Z)-4-(4-ethoxyphenyl)-3-(prop-2-en-1-yl)-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=C

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Saltdata: HBr
Molecular Weight: 471.63
Empirical Formula: C27H29N5OS

Available Amount: 0 mg

Lipinsky:
logP: 6.949
Rotatable bonds: 3
H-donors: 0
H-acceptors: 1
PSA: 80
Number of rings: 5

     

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