COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK058760
Chemical Name: methyl2-({[(5-{[(2E)-3-phenylprop-2-enoyl]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl}amino)benzoate
Smiles: COC(=O)c1ccccc1NC(=O)CSc1nnc(s1)NC(=O)/C=C/c1ccccc1

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Molecular Weight: 454.53
Empirical Formula: C21H18N4O4S2

Physical State: Dry powder
Available Amount: 70 mg

Lipinsky:
logP: 5.128
Rotatable bonds: 6
H-donors: 2
H-acceptors: 4
PSA: 163
Number of rings: 3

     

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