COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK467478
Chemical Name: ethyl{2-[({4-[(3-chloro-6-nitro-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl}acetyl)amino]-1,3-thiazol-4-yl}acetate
Smiles: CCOC(=O)Cc1csc(n1)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: 333 mg

Lipinsky:
logP: 4.573
Rotatable bonds: 6
H-donors: 1
H-acceptors: 6
PSA: 194
Number of rings: 4

     

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