COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL526769
Chemical Name: 2-hydroxy-4-{[({[(3Z,8xi,9xi,14xi)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)acetyl]amino}-3,3-dimethylbutanoicacid
Smiles: C#C[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=C/C(=N\OCC(=O)NCC(C(C(=O)O)O)(C)C)/CC[C@]12C

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Molecular Weight: 514.66
Empirical Formula: C29H42N2O6

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.831
Rotatable bonds: 9
H-donors: 4
H-acceptors: 6
PSA: 128
Number of rings: 4

     

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