COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL525604
Chemical Name: 1-[({[(3Z,8xi,9xi,14xi)-17-hydroxy-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]proline
Smiles: O=C(N1CCCC1C(=O)O)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: 500.64
Empirical Formula: C28H40N2O6

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.279
Rotatable bonds: 6
H-donors: 2
H-acceptors: 6
PSA: 116
Number of rings: 5

     

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