COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL545337
Chemical Name: N-[(7S)-1,2,3-trimethoxy-10-({6-[4-(1-methyl-1H-benzimidazol-2-yl)piperazin-1-yl]-6-oxohexyl}amino)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide
Smiles: COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1[C@H](CC2)NC(=O)C)NCCCCCC(=O)N1CCN(CC1)c1nc2c(n1C)cccc2

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Molecular Weight: 696.85
Empirical Formula: C39H48N6O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.998
Rotatable bonds: 9
H-donors: 2
H-acceptors: 6
PSA: 127
Number of rings: 6

     

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