COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL528955
Chemical Name: N-[({[(3E,8xi,9xi,14xi)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)acetyl]valylmethionine
Smiles: CSCCC(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: 615.83
Empirical Formula: C33H49N3O6S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.995
Rotatable bonds: 12
H-donors: 4
H-acceptors: 6
PSA: 162
Number of rings: 4

     

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