COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK456396
Chemical Name: N-(1,3-benzodioxol-5-yl)-4-[(3-chloro-6-nitro-1-benzothiophen-2-yl)carbonyl]piperazine-1-carbothioamide
Smiles: S=C(N1CCN(CC1)C(=O)c1sc2c(c1Cl)ccc(c2)[N+](=O)[O-])Nc1ccc2c(c1)OCO2

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Molecular Weight: 504.97
Empirical Formula: C21H17ClN4O5S2

Physical State: Dry powder
Available Amount: 634 mg

Lipinsky:
logP: 4.172
Rotatable bonds: 1
H-donors: 1
H-acceptors: 5
PSA: 160
Number of rings: 5

     

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