COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL527024
Chemical Name: 3-[(4-{[(8xi,9xi,11beta,14xi)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)amino]-3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)propanoicacid
Smiles: O=C(NC(C1CCOC(C1)(C)C)CC(=O)O)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)C[C@H](O)C1C2CCC2=CC(=O)CC[C@]12C

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Molecular Weight: 645.79
Empirical Formula: C35H51NO10

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 2.646
Rotatable bonds: 12
H-donors: 4
H-acceptors: 10
PSA: 176
Number of rings: 5

     

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