COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL543347
Chemical Name: ethyl(2Z)-2-({(Z)-N-[7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]methionyl}imino)-2,3-dihydro-1,3-thiazole-4-carboxylate
Smiles: CSCCC(C(=O)/N=c/1\scc([nH]1)C(=O)OCC)Nc1ccc2c(cc1=O)C(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C

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Molecular Weight: 670.81
Empirical Formula: C32H38N4O8S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.857
Rotatable bonds: 12
H-donors: 3
H-acceptors: 8
PSA: 204
Number of rings: 4

     

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