COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL525147
Chemical Name: 1-[({[(3Z,8xi,9xi,14xi,17xi)-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(C1CCC2C(=O)C)C)C

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Molecular Weight: 484.64
Empirical Formula: C28H40N2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.425
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 96
Number of rings: 5

     

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