COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL529356
Chemical Name: N-[({[(3E,8xi,9xi,14xi,17alpha)-11,17-dihydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)acetyl]-6-hydroxytryptophan
Smiles: C#C[C@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=C/C(=N/OCC(=O)NC(C(=O)O)Cc3c[nH]c4c3ccc(c4)O)/CC[C@]12C

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Molecular Weight: 603.72
Empirical Formula: C34H41N3O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.556
Rotatable bonds: 11
H-donors: 6
H-acceptors: 7
PSA: 164
Number of rings: 6

     

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