COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL541417
Chemical Name: methyl(2Z)-2-({(Z)-N-[7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]valyl}imino)-5-phenyl-2,3-dihydro-1,3-thiazole-4-carboxylate
Smiles: COC(=O)c1[nH]/c(=N/C(=O)C(C(C)C)Nc2ccc3c(cc2=O)C(CCc2c3c(OC)c(c(c2)OC)OC)NC(=O)C)/sc1c1ccccc1

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Molecular Weight: 700.81
Empirical Formula: C37H40N4O8S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.354
Rotatable bonds: 9
H-donors: 3
H-acceptors: 8
PSA: 178
Number of rings: 5

     

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