COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL545853
Chemical Name: N~2~-[7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-[2-(2-phenylethyl)-1H-benzimidazol-5-yl]isoleucinamide
Smiles: CCC(C(C(=O)Nc1ccc2c(c1)nc([nH]2)CCc1ccccc1)Nc1ccc2c(cc1=O)C(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C

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Molecular Weight: 717.87
Empirical Formula: C42H47N5O6

Physical State: Dry powder
Available Amount: 311 mg

Lipinsky:
logP: 5.251
Rotatable bonds: 10
H-donors: 4
H-acceptors: 6
PSA: 143
Number of rings: 6

     

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