COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL543950
Chemical Name: N-{(7S)-1,2,3-trimethoxy-9-oxo-10-[(6-oxo-6-{4-[(2E)-3-phenylprop-2-en-1-yl]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)C/C=C/c1ccccc1)NC(=O)C

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Molecular Weight: 682.86
Empirical Formula: C40H50N4O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.347
Rotatable bonds: 10
H-donors: 2
H-acceptors: 6
PSA: 109
Number of rings: 5

     

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