COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL541602
Chemical Name: N~2~-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-{[1-(propan-2-yl)-1H-benzimidazol-2-yl]methyl}-L-alaninamide
Smiles: COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1[C@H](CC2)NC(=O)C)N[C@H](C(=O)NCc1nc2c(n1C(C)C)cccc2)C

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Molecular Weight: 627.74
Empirical Formula: C35H41N5O6

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.277
Rotatable bonds: 8
H-donors: 3
H-acceptors: 6
PSA: 132
Number of rings: 5

     

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