COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL528187
Chemical Name: N-[({[(3E,8xi,9xi,14xi)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)acetyl]valylphenylalanine
Smiles: C#C[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=C/C(=N/OCC(=O)NC(C(=O)NC(C(=O)O)Cc3ccccc3)C(C)C)/CC[C@]12C

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Molecular Weight: 631.81
Empirical Formula: C37H49N3O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.966
Rotatable bonds: 10
H-donors: 4
H-acceptors: 6
PSA: 137
Number of rings: 5

     

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