COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL551261
Chemical Name: 6-{[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}-N-(2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl)hexanamide
Smiles: COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)NCCCCCC(=O)Nc2ccc3c(c2)[nH]c(=O)c(=O)[nH]3)NC(=O)C)cc(c1OC)OC

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Molecular Weight: 657.72
Empirical Formula: C35H39N5O8

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.118
Rotatable bonds: 9
H-donors: 5
H-acceptors: 8
PSA: 173
Number of rings: 5

     

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