COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL380791
Chemical Name: (3s,5s,7s)-N-[(5E)-5-{5-bromo-2-[(4-nitrobenzyl)oxy]benzylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]tricyclo[3.3.1.1~3,7~]decane-1-carboxamide
Smiles: O=C(C12C[C@@H]3C[C@H](C2)C[C@H](C1)C3)NN1C(=S)S/C(=C/c2cc(Br)ccc2OCc2ccc(cc2)[N+](=O)[O-])/C1=O

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Molecular Weight: 628.57
Empirical Formula: C28H26BrN3O5S2

Physical State: Dry powder
Available Amount: 947 mg

Lipinsky:
logP: 7.507
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 161
Number of rings: 7

     

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