COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL542578
Chemical Name: N-[2-(4-hydroxyphenyl)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)NCCc3ccc(cc3)O)/CC[C@]12C

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Molecular Weight: 554.68
Empirical Formula: C31H42N2O7

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: 2.798
Rotatable bonds: 10
H-donors: 5
H-acceptors: 7
PSA: 148
Number of rings: 5

     

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