COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL527673
Chemical Name: N-[({[(3E,8xi,9xi,14xi)-17-hydroxyandrost-4-en-3-ylidene]amino}oxy)acetyl]methionine
Smiles: C[C@@]12CC/C(=N\OCC(=O)NC(C(=O)O)CCSC)/C=C2CCC2C1CC[C@]1(C2CCC1O)C

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Molecular Weight: 492.68
Empirical Formula: C26H40N2O5S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.571
Rotatable bonds: 10
H-donors: 3
H-acceptors: 5
PSA: 133
Number of rings: 4

     

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