COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK467627
Chemical Name: ethyl2-[({4-[(3-chloro-6-nitro-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl}acetyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
Smiles: CCOC(=O)c1sc(nc1C)NC(=O)CN1CCN(CC1)C(=O)c1sc2c(c1Cl)ccc(c2)[N+](=O)[O-]

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Molecular Weight: 552.03
Empirical Formula: C22H22ClN5O6S2

Physical State: Dry powder
Available Amount: 812 mg

Lipinsky:
logP: 5.263
Rotatable bonds: 5
H-donors: 1
H-acceptors: 6
PSA: 194
Number of rings: 4

     

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