COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL020986
Chemical Name: ethyl4-(4-chlorophenyl)-2-({(2E)-2-cyano-3-[4-(diethylamino)phenyl]prop-2-enoyl}amino)thiophene-3-carboxylate
Smiles: CCOC(=O)c1c(scc1c1ccc(cc1)Cl)NC(=O)/C(=C/c1ccc(cc1)N(CC)CC)/C#N

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Molecular Weight: 508.04
Empirical Formula: C27H26ClN3O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 8.923
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 110
Number of rings: 3

     

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