COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL525451
Chemical Name: 2-({[(3Z,8xi,9xi,14xi)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)-N-[2-(1H-imidazol-4-yl)ethyl]acetamide
Smiles: C[C@@]12CC/C(=N/OCC(=O)NCCc3c[nH]cn3)/C=C2CCC2C1CC[C@]1(C2CC[C@]1(O)C#C)C

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Molecular Weight: 478.63
Empirical Formula: C28H38N4O3

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 3.594
Rotatable bonds: 6
H-donors: 3
H-acceptors: 3
PSA: 99
Number of rings: 5

     

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