COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL313121
Chemical Name: ethyl4-{[(2E)-4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2(3H)-ylidene]carbamoyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c(c(c1C)C(=O)/N=c\1/scc([nH]1)c1ccc2c(c1)OCO2)C

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Molecular Weight: 413.45
Empirical Formula: C20H19N3O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.197
Rotatable bonds: 5
H-donors: 2
H-acceptors: 5
PSA: 127
Number of rings: 4

     

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