COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL547652
Chemical Name: N~2~-[7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-(2-methyl-1H-benzimidazol-5-yl)valinamide
Smiles: COc1c2c(CCC(c3c2ccc(c(=O)c3)NC(C(=O)Nc2ccc3c(c2)nc([nH]3)C)C(C)C)NC(=O)C)cc(c1OC)OC

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Molecular Weight: 613.71
Empirical Formula: C34H39N5O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.552
Rotatable bonds: 7
H-donors: 4
H-acceptors: 6
PSA: 143
Number of rings: 5

     

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