COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL525068
Chemical Name: (7S)-10-(dodecylamino)-1,2,3-trimethoxy-7-(methylamino)-6,7-dihydrobenzo[a]heptalen-9(5H)-one
Smiles: CCCCCCCCCCCCNc1ccc2c(cc1=O)[C@@H](NC)CCc1c2c(OC)c(c(c1)OC)OC

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Molecular Weight: 524.74
Empirical Formula: C32H48N2O4

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 7.113
Rotatable bonds: 14
H-donors: 2
H-acceptors: 4
PSA: 68
Number of rings: 3

     

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