COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL545291
Chemical Name: ethyl(2Z)-2-[(4-{[7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}butanoyl)imino]-2,3-dihydro-1,3-thiazole-4-carboxylate
Smiles: CCOC(=O)c1cs/c(=N\C(=O)CCCNc2ccc3c(cc2=O)C(CCc2c3c(OC)c(c(c2)OC)OC)NC(=O)C)/[nH]1

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Molecular Weight: 624.72
Empirical Formula: C31H36N4O8S

Physical State: Dry powder
Available Amount: 58 mg

Lipinsky:
logP: 1.546
Rotatable bonds: 11
H-donors: 3
H-acceptors: 8
PSA: 178
Number of rings: 4

     

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