COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL002441
Chemical Name: 6-hydroxy-N-[({[(3E,8xi,9xi,14xi,17alpha)-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]c4c3ccc(c4)O)/CC[C@]12C

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Molecular Weight: 587.72
Empirical Formula: C34H41N3O6

Available Amount: 0 mg

Lipinsky:
logP: 5.118
Rotatable bonds: 10
H-donors: 5
H-acceptors: 6
PSA: 144
Number of rings: 6

     

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