COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK721800
Chemical Name: 3-{2-[(7E)-7-benzylidene-3-phenyl-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-1,3-thiazol-4-yl}-6-bromo-2H-chromen-2-one
Smiles: Brc1ccc2c(c1)cc(c(=O)o2)c1csc(n1)N1N=C2C(C1c1ccccc1)CCC/C/2=C\c1ccccc1

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Molecular Weight: 594.53
Empirical Formula: C32H24BrN3O2S

Physical State: Dry powder
Available Amount: 127 mg

Lipinsky:
logP: 7.896
Rotatable bonds: 1
H-donors: 0
H-acceptors: 2
PSA: 83
Number of rings: 7

     

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