COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK473580
Chemical Name: 4-[(1E)-2-cyano-3-{[3-(ethoxycarbonyl)-5-(propan-2-yl)thiophen-2-yl]amino}-3-oxoprop-1-en-1-yl]-2-ethoxyphenylthiophene-2-carboxylate
Smiles: CCOC(=O)c1cc(sc1NC(=O)/C(=C/c1ccc(c(c1)OCC)OC(=O)c1cccs1)/C#N)C(C)C

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Molecular Weight: 538.65
Empirical Formula: C27H26N2O6S2

Physical State: Dry powder
Available Amount: 316 mg

Lipinsky:
logP: 8.159
Rotatable bonds: 11
H-donors: 1
H-acceptors: 6
PSA: 171
Number of rings: 3

     

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