COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL526671
Chemical Name: N-[2-(3,4-dihydroxyphenyl)ethyl]-2-({[(3Z,8xi,9xi,14xi)-17-hydroxy-20-oxopregn-4-en-3-ylidene]amino}oxy)acetamide
Smiles: O=C(CO/N=C\1/CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(O)C(=O)C)C)C)NCCc1ccc(c(c1)O)O

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Molecular Weight: 538.68
Empirical Formula: C31H42N2O6

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.662
Rotatable bonds: 9
H-donors: 4
H-acceptors: 6
PSA: 128
Number of rings: 5

     

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