COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL540325
Chemical Name: methyl(2Z)-2-({(Z)-N-[7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]isoleucyl}imino)-5-(2-methylpropyl)-2,3-dihydro-1,3-thiazole-4-carboxylate
Smiles: CCC(C(C(=O)/N=c\1/[nH]c(c(s1)CC(C)C)C(=O)OC)Nc1ccc2c(cc1=O)C(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C

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Molecular Weight: 694.85
Empirical Formula: C36H46N4O8S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.685
Rotatable bonds: 12
H-donors: 3
H-acceptors: 8
PSA: 178
Number of rings: 4

     

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