COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL545437
Chemical Name: N-{(7S)-1,2,3-trimethoxy-9-oxo-10-[(6-oxo-6-{4-[2-(pyridin-2-yl)ethyl]piperazin-1-yl}hexyl)amino]-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl}acetamide
Smiles: COc1cc2CC[C@@H](c3c(c2c(c1OC)OC)ccc(c(=O)c3)NCCCCCC(=O)N1CCN(CC1)CCc1ccccn1)NC(=O)C

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Molecular Weight: 671.84
Empirical Formula: C38H49N5O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.579
Rotatable bonds: 11
H-donors: 2
H-acceptors: 6
PSA: 122
Number of rings: 5

     

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