COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL553010
Chemical Name: 3-(2-{[({[(3E,8xi,9xi,14xi)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)acetyl]amino}ethyl)-5-methoxy-1H-indole-2-carboxylicacid
Smiles: C[C@@]12CC/C(=N\OCC(=O)NCCc3c(C(=O)O)[nH]c4c3cc(OC)cc4)/C=C2CCC2C1CC[C@]1(C2CCC1(O)C#C)C

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Molecular Weight: 601.74
Empirical Formula: C35H43N3O6

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.978
Rotatable bonds: 10
H-donors: 4
H-acceptors: 6
PSA: 133
Number of rings: 6

     

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