COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL528967
Chemical Name: N-[({[(3E,8xi,9xi,14xi)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)acetyl]valylserine
Smiles: OCC(C(=O)O)NC(=O)C(C(C)C)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: 571.71
Empirical Formula: C31H45N3O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.292
Rotatable bonds: 11
H-donors: 5
H-acceptors: 7
PSA: 157
Number of rings: 4

     

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