COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK775678
Chemical Name: (11alpha,17beta)-17-ethynyl-1-nitro-11-(nitrooxy)estra-1,3,5(10)-triene-3,17-diyldiacetate
Smiles: C#C[C@@]1(CC[C@@H]2[C@]1(C)C[C@@H](O[N+](=O)[O-])[C@H]1[C@H]2CCc2c1c(cc(c2)OC(=O)C)[N+](=O)[O-])OC(=O)C

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Molecular Weight: 486.48
Empirical Formula: C24H26N2O9

Physical State: Dry powder
Available Amount: 65 mg

Lipinsky:
logP: 5.143
Rotatable bonds: 3
H-donors: 0
H-acceptors: 9
PSA: 153
Number of rings: 4

     

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