COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK473583
Chemical Name: ethyl2-{[(2E)-3-(4-chloro-3-nitrophenyl)-2-cyanoprop-2-enoyl]amino}-5-(propan-2-yl)thiophene-3-carboxylate
Smiles: CCOC(=O)c1cc(sc1NC(=O)/C(=C/c1ccc(c(c1)[N+](=O)[O-])Cl)/C#N)C(C)C

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Molecular Weight: 447.9
Empirical Formula: C20H18ClN3O5S

Physical State: Dry powder
Available Amount: 269 mg

Lipinsky:
logP: 6.882
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 153
Number of rings: 2

     

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