COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL527280
Chemical Name: methylN-[({[(3Z,8xi,9xi,14xi,17beta)-17-hydroxy-17-methylandrosta-1,4-dien-3-ylidene]amino}oxy)acetyl]histidinate
Smiles: COC(=O)C(Cc1cnc[nH]1)NC(=O)CO/N=C\1/C=C[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(C)O)C)C

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Molecular Weight: 524.66
Empirical Formula: C29H40N4O5

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.105
Rotatable bonds: 9
H-donors: 3
H-acceptors: 5
PSA: 125
Number of rings: 5

     

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