COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL526730
Chemical Name: (8xi,9xi,14xi)-3-oxoandrost-4-en-17-yl4-{[2-(3,4-dihydroxyphenyl)ethyl]amino}-4-oxobutanoate
Smiles: O=C(CCC(=O)OC1CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C)NCCc1ccc(c(c1)O)O

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Molecular Weight: 523.67
Empirical Formula: C31H41NO6

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.247
Rotatable bonds: 10
H-donors: 3
H-acceptors: 6
PSA: 112
Number of rings: 5

     

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