COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK851487
Chemical Name: methyl2-{[({(5Z)-5-[(3-phenylpropanoyl)imino]-4,5-dihydro-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]amino}benzoate
Smiles: COC(=O)c1ccccc1NC(=O)CSc1n[nH]/c(=N/C(=O)CCc2ccccc2)/s1

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Molecular Weight: 456.55
Empirical Formula: C21H20N4O4S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.141
Rotatable bonds: 7
H-donors: 2
H-acceptors: 4
PSA: 159
Number of rings: 3

     

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