COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK458252
Chemical Name: dimethyl5-[({4-[(3-chloro-6-nitro-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl}carbonothioyl)amino]-3-methylthiophene-2,4-dicarboxylate
Smiles: COC(=O)c1sc(c(c1C)C(=O)OC)NC(=S)N1CCN(CC1)C(=O)c1sc2c(c1Cl)ccc(c2)[N+](=O)[O-]

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Molecular Weight: 597.09
Empirical Formula: C23H21ClN4O7S3

Physical State: Dry powder
Available Amount: 54 mg

Lipinsky:
logP: 6.364
Rotatable bonds: 5
H-donors: 1
H-acceptors: 7
PSA: 222
Number of rings: 4

     

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