COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK119937
Chemical Name: N-(4-chlorophenyl)-2-[(5-{[(2E)-3-phenylprop-2-enoyl]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]butanamide
Smiles: CCC(C(=O)Nc1ccc(cc1)Cl)Sc1nnc(s1)NC(=O)/C=C/c1ccccc1

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Molecular Weight: 458.99
Empirical Formula: C21H19ClN4O2S2

Physical State: Dry powder
Available Amount: 214 mg

Lipinsky:
logP: 6.407
Rotatable bonds: 5
H-donors: 2
H-acceptors: 2
PSA: 137
Number of rings: 3

     

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