COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK209308
Chemical Name: methyl5-{[(3-chloro-7-nitro-1-benzothiophen-2-yl)carbonyl]amino}-4-cyano-3-methylthiophene-2-carboxylate
Smiles: COC(=O)c1sc(c(c1C)C#N)NC(=O)c1sc2c(c1Cl)cccc2[N+](=O)[O-]

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Molecular Weight: 435.87
Empirical Formula: C17H10ClN3O5S2

Physical State: Dry powder
Available Amount: 59 mg

Lipinsky:
logP: 5.429
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 181
Number of rings: 3

     

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