COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL537777
Chemical Name: 4-({[({[(3E,8xi,9xi,14xi,17xi)-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]amino}methyl)benzoicacid
Smiles: O=C(NCc1ccc(cc1)C(=O)O)CO/N=C/1\CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CCC2C(=O)C)C)C

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Molecular Weight: 520.67
Empirical Formula: C31H40N2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.537
Rotatable bonds: 6
H-donors: 2
H-acceptors: 5
PSA: 105
Number of rings: 5

     

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