COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL547587
Chemical Name: (3S)-2-{N-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-L-valyl}-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Smiles: CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H](C(C)C)Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C

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Molecular Weight: 656.78
Empirical Formula: C37H44N4O7

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 2.861
Rotatable bonds: 5
H-donors: 3
H-acceptors: 7
PSA: 135
Number of rings: 5

     

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