COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL524460
Chemical Name: methylN-[({[(3E,8xi,9xi,14xi)-17-hydroxyandrost-4-en-3-ylidene]amino}oxy)acetyl]histidinate
Smiles: COC(=O)C(Cc1c[nH]cn1)NC(=O)CO/N=C/1\CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CCC2O)C)C

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Molecular Weight: 512.65
Empirical Formula: C28H40N4O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.462
Rotatable bonds: 9
H-donors: 3
H-acceptors: 5
PSA: 125
Number of rings: 5

     

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