COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL525961
Chemical Name: N-[({[(3Z,8xi,9xi,14xi)-11,17,21-trihydroxy-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]phenylalanine
Smiles: OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=C/C(=N\OCC(=O)NC(C(=O)O)Cc3ccccc3)/CC[C@]12C

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Molecular Weight: 582.69
Empirical Formula: C32H42N2O8

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.493
Rotatable bonds: 11
H-donors: 5
H-acceptors: 8
PSA: 165
Number of rings: 5

     

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