COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL525473
Chemical Name: methyl{[({[(3Z,8xi,9xi,14xi)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)acetyl]amino}(phenyl)acetate
Smiles: COC(=O)C(c1ccccc1)NC(=O)CO/N=C\1/CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(O)C#C)C)C

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Molecular Weight: 532.68
Empirical Formula: C32H40N2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.183
Rotatable bonds: 6
H-donors: 2
H-acceptors: 5
PSA: 97
Number of rings: 5

     

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