COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL547599
Chemical Name: N~2~-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-L-valinamide
Smiles: COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)N[C@H](C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)C(C)C)NC(=O)C)cc(c1OC)OC

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Molecular Weight: 643.74
Empirical Formula: C35H41N5O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.437
Rotatable bonds: 5
H-donors: 3
H-acceptors: 7
PSA: 138
Number of rings: 5

     

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