COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL540369
Chemical Name: 4-({[({[(3E,8xi,9xi,14xi,17beta)-17-hydroxy-17-methylandrosta-1,4-dien-3-ylidene]amino}oxy)acetyl]amino}methyl)cyclohexanecarboxylicacid
Smiles: O=C(NCC1CCC(CC1)C(=O)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: 512.69
Empirical Formula: C30H44N2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.034
Rotatable bonds: 8
H-donors: 3
H-acceptors: 5
PSA: 108
Number of rings: 5

     

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