COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL527429
Chemical Name: N-[({[(3E,8xi,9xi,14xi)-17-hydroxy-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]valine
Smiles: O=C(NC(C(=O)O)C(C)C)CO/N=C/1\CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(O)C(=O)C)C)C

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Molecular Weight: 502.65
Empirical Formula: C28H42N2O6

Physical State: Dry powder
Available Amount: 56 mg

Lipinsky:
logP: 3.994
Rotatable bonds: 8
H-donors: 3
H-acceptors: 6
PSA: 125
Number of rings: 4

     

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