COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL064997
Chemical Name: 2-phenylethyl4-[({2-[(3-chloro-1-benzothiophen-2-yl)carbonyl]hydrazinyl}carbonothioyl)amino]-4-oxobutanoate
Smiles: O=C(CCC(=O)NC(=S)NNC(=O)c1sc2c(c1Cl)cccc2)OCCc1ccccc1

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Molecular Weight: 490
Empirical Formula: C22H20ClN3O4S2

Physical State: Dry powder
Available Amount: 95 mg

Lipinsky:
logP: 5.15
Rotatable bonds: 8
H-donors: 3
H-acceptors: 4
PSA: 156
Number of rings: 3

     

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