COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK537267
Chemical Name: ethyl2-{3-[(1E)-2-cyano-3-(morpholin-4-yl)-3-oxoprop-1-en-1-yl]-2,5-dimethyl-1H-pyrrol-1-yl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CCOC(=O)c1c(sc2c1CCCC2)n1c(C)cc(c1C)/C=C(/C(=O)N1CCOCC1)\C#N

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Molecular Weight: 467.59
Empirical Formula: C25H29N3O4S

Physical State: Dry powder
Available Amount: 645 mg

Lipinsky:
logP: 4.465
Rotatable bonds: 5
H-donors: 0
H-acceptors: 4
PSA: 112
Number of rings: 4

     

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