COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL003965
Chemical Name: beta-hydroxy-N-[({[(3E,8xi,9xi,14xi)-17-hydroxyandrost-4-en-3-ylidene]amino}oxy)acetyl]phenylalanine
Smiles: O=C(NC(C(c1ccccc1)O)C(=O)O)CO/N=C/1\CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CCC2O)C)C

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Molecular Weight: 524.66
Empirical Formula: C30H40N2O6

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.889
Rotatable bonds: 9
H-donors: 4
H-acceptors: 6
PSA: 128
Number of rings: 5

     

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