COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL540846
Chemical Name: 2-hydroxy-3,3-dimethyl-4-{[({[(3E,8xi,9xi,14xi)-11,17,21-trihydroxy-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]amino}butanoicacid
Smiles: OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=C/C(=N/OCC(=O)NCC(C(C(=O)O)O)(C)C)/CC[C@]12C

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Molecular Weight: 564.68
Empirical Formula: C29H44N2O9

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 1.393
Rotatable bonds: 13
H-donors: 6
H-acceptors: 9
PSA: 185
Number of rings: 4

     

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