COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL511436
Chemical Name: 6-{[7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}-N-(1H-1,2,4-triazol-3-yl)hexanamide
Smiles: COc1c2c(CCC(c3c2ccc(c(=O)c3)NCCCCCC(=O)Nc2n[nH]cn2)NC(=O)C)cc(c1OC)OC

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Molecular Weight: 564.64
Empirical Formula: C29H36N6O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0.21
Rotatable bonds: 10
H-donors: 4
H-acceptors: 6
PSA: 156
Number of rings: 4

     

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