COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK466987
Chemical Name: methyl2-[({4-[(3-chloro-6-nitro-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl}acetyl)amino]-4-phenylthiophene-3-carboxylate
Smiles: COC(=O)c1c(scc1c1ccccc1)NC(=O)CN1CCN(CC1)C(=O)c1sc2c(c1Cl)ccc(c2)[N+](=O)[O-]

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Molecular Weight: 599.09
Empirical Formula: C27H23ClN4O6S2

Physical State: Dry powder
Available Amount: 239 mg

Lipinsky:
logP: 6.854
Rotatable bonds: 4
H-donors: 1
H-acceptors: 6
PSA: 181
Number of rings: 5

     

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