COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL528945
Chemical Name: N-[({[(3E,8xi,9xi,14xi)-11,17,21-trihydroxy-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]tryptophan
Smiles: OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=C/C(=N/OCC(=O)NC(C(=O)O)Cc3c[nH]c4c3cccc4)/CC[C@]12C

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Molecular Weight: 621.73
Empirical Formula: C34H43N3O8

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.417
Rotatable bonds: 12
H-donors: 6
H-acceptors: 8
PSA: 181
Number of rings: 6

     

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