COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL532192
Chemical Name: N-[2-(3,4-dihydroxyphenyl)ethyl]-2-({[(3E,9xi,14xi,17beta)-17-hydroxy-17-methylandrost-4-en-3-ylidene]amino}oxy)acetamide
Smiles: O=C(CO/N=C/1\CC[C@]2(C(=C1)CC[C@@H]1C2CC[C@]2(C1CC[C@]2(C)O)C)C)NCCc1ccc(c(c1)O)O

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Molecular Weight: 510.67
Empirical Formula: C30H42N2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.787
Rotatable bonds: 9
H-donors: 4
H-acceptors: 5
PSA: 111
Number of rings: 5

     

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