COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL525546
Chemical Name: methylN-[({[(3Z,8xi,9xi,14xi)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)acetyl]tyrosinate
Smiles: COC(=O)C(Cc1ccc(cc1)O)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: 562.71
Empirical Formula: C33H42N2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.493
Rotatable bonds: 8
H-donors: 3
H-acceptors: 6
PSA: 117
Number of rings: 5

     

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