COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL525342
Chemical Name: methylN-[({[(3E,8xi,9xi,14xi,17xi)-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]tryptophanate
Smiles: COC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)CO/N=C/1\CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CCC2C(=O)C)C)C

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Molecular Weight: 587.76
Empirical Formula: C35H45N3O5

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 6.327
Rotatable bonds: 9
H-donors: 2
H-acceptors: 5
PSA: 109
Number of rings: 6

     

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