COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL527007
Chemical Name: methylN-[({[(3Z,8xi,9xi,14xi)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)acetyl]-3-nitrotyrosinate
Smiles: COC(=O)C(Cc1ccc(c(c1)[N+](=O)[O-])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: 607.7
Empirical Formula: C33H41N3O8

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.72
Rotatable bonds: 9
H-donors: 3
H-acceptors: 8
PSA: 163
Number of rings: 5

     

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