COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL529493
Chemical Name: N-[({[(3E,8xi,9xi,14xi,17alpha)-11,17-dihydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)acetyl]alanylmethionine
Smiles: CSCCC(C(=O)O)NC(=O)C(NC(=O)CO/N=C/1\CC[C@]2(C(=C1)CCC1C2C(O)C[C@]2(C1CC[C@@]2(O)C#C)C)C)C

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Molecular Weight: 603.78
Empirical Formula: C31H45N3O7S

Physical State: Dry powder
Available Amount: 30 mg

Lipinsky:
logP: 3.554
Rotatable bonds: 13
H-donors: 5
H-acceptors: 7
PSA: 182
Number of rings: 4

     

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