COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL547008
Chemical Name: 1-[({[(3Z,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)N3CCCC3C(=O)O)/CC[C@]12C

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Molecular Weight: 532.63
Empirical Formula: C28H40N2O8

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 1.814
Rotatable bonds: 9
H-donors: 4
H-acceptors: 8
PSA: 156
Number of rings: 5

     

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