COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK198570
Chemical Name: methyl3-{[(3,6-dichloro-1-benzothiophen-2-yl)carbonyl]amino}-4-(4-ethylpiperazin-1-yl)benzoate
Smiles: CCN1CCN(CC1)c1ccc(cc1NC(=O)c1sc2c(c1Cl)ccc(c2)Cl)C(=O)OC

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Molecular Weight: 492.43
Empirical Formula: C23H23Cl2N3O3S

Physical State: Dry powder
Available Amount: 233 mg

Lipinsky:
logP: 5.843
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 90
Number of rings: 4

     

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