COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL528728
Chemical Name: (8xi,9xi,14xi)-11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl4-[(1,3-benzodioxol-4-ylmethyl)amino]-4-oxobutanoate
Smiles: O=C(NCc1cccc2c1OCO2)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)C=C[C@]12C

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Molecular Weight: 593.67
Empirical Formula: C33H39NO9

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.278
Rotatable bonds: 10
H-donors: 3
H-acceptors: 9
PSA: 148
Number of rings: 6

     

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