COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL053771
Chemical Name: N-[(2E)-5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2(3H)-ylidene]-2-{[4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: Clc1ccc(cc1)CSc1n[nH]/c(=N\C(=O)CSc2nnc(n2c2ccccc2)c2cccnc2)/s1

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Molecular Weight: 552.1
Empirical Formula: C24H18ClN7OS3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.65
Rotatable bonds: 6
H-donors: 1
H-acceptors: 1
PSA: 173
Number of rings: 5

     

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