COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL556483
Chemical Name: (3S,5Z,7E,22E)-9,10-secoergosta-5,7,10,22-tetraen-3-yl3,5-dinitrobenzoate
Smiles: C[C@H](C(C)C)/C=C/[C@H]([C@H]1CC[C@@H]2[C@]1(C)CCC/C/2=C\C=C/1\C[C@H](CCC1=C)OC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])C

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Molecular Weight: 590.76
Empirical Formula: C35H46N2O6

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 11.615
Rotatable bonds: 5
H-donors: 0
H-acceptors: 6
PSA: 117
Number of rings: 4

     

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