COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL547583
Chemical Name: 4-{[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}-N-(2-hydroxy-3-oxo-3,4-dihydroquinoxalin-6-yl)butanamide
Smiles: COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)NCCCC(=O)Nc2ccc3c(c2)[nH]c(=O)c(n3)O)NC(=O)C)cc(c1OC)OC

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Molecular Weight: 629.67
Empirical Formula: C33H35N5O8

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0.972
Rotatable bonds: 8
H-donors: 5
H-acceptors: 8
PSA: 176
Number of rings: 5

     

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