COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL546870
Chemical Name: N-[2-(1H-imidazol-4-yl)ethyl]-2-({[(3Z,8xi,9xi,14xi)-11,17,21-trihydroxy-20-oxopregn-4-en-3-ylidene]amino}oxy)acetamide
Smiles: OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=C/C(=N\OCC(=O)NCCc3c[nH]cn3)/CC[C@]12C

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Molecular Weight: 528.65
Empirical Formula: C28H40N4O6

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 1.156
Rotatable bonds: 10
H-donors: 5
H-acceptors: 6
PSA: 157
Number of rings: 5

     

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