COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL538218
Chemical Name: (11beta)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-4-oxobutanoate
Smiles: COc1cc(CCNC(=O)CCC(=O)OCC(=O)[C@@]2(O)CC[C@@H]3[C@]2(C)C[C@H](O)[C@H]2[C@H]3CCC3=CC(=O)CC[C@]23C)ccc1OC

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Molecular Weight: 625.76
Empirical Formula: C35H47NO9

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.465
Rotatable bonds: 11
H-donors: 3
H-acceptors: 9
PSA: 148
Number of rings: 5

     

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