COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL546496
Chemical Name: 6-{[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]hexanamide
Smiles: COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)NCCCCCC(=O)NC[C@@H]2CCCN3[C@@H]2CCCC3)NC(=O)C)cc(c1OC)OC

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Molecular Weight: 648.84
Empirical Formula: C37H52N4O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.466
Rotatable bonds: 10
H-donors: 3
H-acceptors: 6
PSA: 118
Number of rings: 5

     

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