COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL286809
Chemical Name: 6-bromo-3-{2-[(7Z)-7-(4-nitrobenzylidene)-3-(4-nitrophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-1,3-thiazol-5-yl}-2H-chromen-2-one
Smiles: Brc1ccc2c(c1)cc(c(=O)o2)c1cnc(s1)N1N=C2C(C1c1ccc(cc1)[N+](=O)[O-])CCC/C/2=C/c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 684.53
Empirical Formula: C32H22BrN5O6S

Physical State: Dry powder
Available Amount: 37 mg

Lipinsky:
logP: 7.405
Rotatable bonds: 1
H-donors: 0
H-acceptors: 6
PSA: 174
Number of rings: 7

     

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