COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL553054
Chemical Name: 2-({[(3E,8xi,9xi,14xi)-17-hydroxy-20-oxopregn-4-en-3-ylidene]amino}oxy)-N-(thiophen-2-ylmethyl)acetamide
Smiles: O=C(NCc1cccs1)CO/N=C/1\CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CCC2(O)C(=O)C)C)C

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Molecular Weight: 498.69
Empirical Formula: C28H38N2O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.393
Rotatable bonds: 6
H-donors: 2
H-acceptors: 4
PSA: 116
Number of rings: 5

     

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