COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL545938
Chemical Name: N~2~-[7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-[2-(hydroxymethyl)-1H-benzimidazol-6-yl]isoleucinamide
Smiles: CCC(C(C(=O)Nc1ccc2c(c1)[nH]c(n2)CO)Nc1ccc2c(cc1=O)C(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C

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Molecular Weight: 643.74
Empirical Formula: C35H41N5O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.177
Rotatable bonds: 10
H-donors: 5
H-acceptors: 7
PSA: 163
Number of rings: 5

     

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