COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL548644
Chemical Name: 6-{[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}-N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]hexanamide
Smiles: CSCC[C@@H](c1nc2c([nH]1)cccc2)NC(=O)CCCCCNc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C

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Molecular Weight: 701.89
Empirical Formula: C38H47N5O6S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.019
Rotatable bonds: 12
H-donors: 4
H-acceptors: 6
PSA: 168
Number of rings: 5

     

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