COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL528101
Chemical Name: N-[({[(3Z,8xi,9xi,14xi)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)acetyl]valyltryptophan
Smiles: C#C[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=C/C(=N\OCC(=O)NC(C(=O)NC(C(=O)O)Cc3c[nH]c4c3cccc4)C(C)C)/CC[C@]12C

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Molecular Weight: 670.85
Empirical Formula: C39H50N4O6

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 6.89
Rotatable bonds: 11
H-donors: 5
H-acceptors: 6
PSA: 153
Number of rings: 6

     

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