COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL525770
Chemical Name: methylN-(4-{[(8xi,9xi,14xi)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)histidinate
Smiles: COC(=O)C(Cc1c[nH]cn1)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)CC[C@]12C

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Molecular Weight: 613.71
Empirical Formula: C32H43N3O9

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 1.304
Rotatable bonds: 13
H-donors: 4
H-acceptors: 9
PSA: 184
Number of rings: 5

     

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