COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL525020
Chemical Name: N-[({[(3Z,8xi,9xi,14xi)-17-hydroxy-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]phenylalanine
Smiles: O=C(NC(C(=O)O)Cc1ccccc1)CO/N=C\1/CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(O)C(=O)C)C)C

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Molecular Weight: 550.7
Empirical Formula: C32H42N2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.958
Rotatable bonds: 8
H-donors: 3
H-acceptors: 6
PSA: 125
Number of rings: 5

     

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