COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK188864
Chemical Name: methyl3-{[(3-chloro-1-benzothiophen-2-yl)carbonyl]amino}-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate
Smiles: COC(=O)c1ccc(c(c1)NC(=O)c1sc2c(c1Cl)cccc2)N1CCN(CC1)C(=O)c1ccccc1

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Molecular Weight: 534.04
Empirical Formula: C28H24ClN3O4S

Physical State: Dry powder
Available Amount: 297 mg

Lipinsky:
logP: 4.626
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 107
Number of rings: 5

     

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