COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK676023
Chemical Name: benzylN'-[2-(4-bromophenyl)-2-oxoethyl]-N-(2-phenylethyl)-N-prop-2-en-1-ylcarbamimidothioate
Smiles: C=CCN(/C(=N/CC(=O)c1ccc(cc1)Br)/SCc1ccccc1)CCc1ccccc1

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Saltdata: HBr
Molecular Weight: 507.49
Empirical Formula: C27H27BrN2OS

Physical State: Dry powder
Available Amount: 5 mg

Lipinsky:
logP: 7.618
Rotatable bonds: 8
H-donors: 0
H-acceptors: 1
PSA: 57
Number of rings: 3

     

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