COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL526781
Chemical Name: (8xi,9xi,11beta,14xi)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl4-({2-[4-(4-methoxyphenyl)-1,2,5-trimethylpiperidin-4-yl]ethyl}amino)-4-oxobutanoate
Smiles: COc1ccc(cc1)C1(CCNC(=O)CCC(=O)OCC(=O)[C@@]2(O)CCC3[C@]2(C)C[C@H](O)C2C3CCC3=CC(=O)CC[C@]23C)CC(C)N(CC1C)C

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Molecular Weight: 720.95
Empirical Formula: C42H60N2O8

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.742
Rotatable bonds: 10
H-donors: 3
H-acceptors: 8
PSA: 142
Number of rings: 6

     

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