COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL525859
Chemical Name: methylN-[({[(3E,8xi,9xi,14xi)-11,17,21-trihydroxy-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]histidinate
Smiles: COC(=O)C(Cc1c[nH]cn1)NC(=O)CO/N=C/1\CC[C@]2(C(=C1)CCC1C2C(O)C[C@]2(C1CC[C@]2(O)C(=O)CO)C)C

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Molecular Weight: 586.69
Empirical Formula: C30H42N4O8

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 1.413
Rotatable bonds: 12
H-donors: 5
H-acceptors: 8
PSA: 183
Number of rings: 5

     

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