COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL525183
Chemical Name: methylN-[({[(3E,8xi,9xi,14xi)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)acetyl]tryptophanate
Smiles: COC(=O)C(Cc1c[nH]c2c1cccc2)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: 585.74
Empirical Formula: C35H43N3O5

Available Amount: 0 mg

Lipinsky:
logP: 6.154
Rotatable bonds: 8
H-donors: 3
H-acceptors: 5
PSA: 113
Number of rings: 6

     

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