COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL528855
Chemical Name: N-[({[(3E,8xi,9xi,14xi)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)acetyl]tryptophan
Smiles: C#C[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=C/C(=N/OCC(=O)NC(C(=O)O)Cc3c[nH]c4c3cccc4)/CC[C@]12C

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Molecular Weight: 571.72
Empirical Formula: C34H41N3O5

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.854
Rotatable bonds: 8
H-donors: 4
H-acceptors: 5
PSA: 124
Number of rings: 6

     

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