COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL001949
Chemical Name: N-[({[(3E,8xi,9xi,14xi,17beta)-17-hydroxy-17-methylandrost-4-en-3-ylidene]amino}oxy)acetyl]tryptophan
Smiles: O=C(NC(C(=O)O)Cc1c[nH]c2c1cccc2)CO/N=C/1\CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(C)O)C)C

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Molecular Weight: 561.72
Empirical Formula: C33H43N3O5

Available Amount: 0 mg

Lipinsky:
logP: 6.007
Rotatable bonds: 9
H-donors: 4
H-acceptors: 5
PSA: 124
Number of rings: 6

     

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