COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL524719
Chemical Name: 2-({[(3Z,8xi,9xi,14xi)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)-N-[(3R)-2-oxoazepan-3-yl]acetamide
Smiles: C#C[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=C/C(=N\OCC(=O)N[C@@H]3CCCCNC3=O)/CC[C@]12C

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Molecular Weight: 495.66
Empirical Formula: C29H41N3O4

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.619
Rotatable bonds: 3
H-donors: 3
H-acceptors: 4
PSA: 100
Number of rings: 5

     

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