COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL546119
Chemical Name: N-[2-(4-hydroxyphenyl)ethyl]-2-({[(3Z,8xi,9xi,14xi)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)acetamide
Smiles: C#C[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=C/C(=N\OCC(=O)NCCc3ccc(cc3)O)/CC[C@]12C

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Molecular Weight: 504.67
Empirical Formula: C31H40N2O4

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.236
Rotatable bonds: 6
H-donors: 3
H-acceptors: 4
PSA: 91
Number of rings: 5

     

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