COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL547412
Chemical Name: 4-hydroxy-1-[({[(3E,8xi,9xi,14xi)-11,17,21-trihydroxy-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]proline
Smiles: OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=C/C(=N/OCC(=O)N3CC(CC3C(=O)O)O)/CC[C@]12C

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Molecular Weight: 548.63
Empirical Formula: C28H40N2O9

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 0.541
Rotatable bonds: 10
H-donors: 5
H-acceptors: 9
PSA: 177
Number of rings: 5

     

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