COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK889081
Chemical Name: (7E)-7-(4-nitrobenzylidene)-3-(4-nitrophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazole-2-carbothioamide
Smiles: NC(=S)N1N=C2C(C1c1ccc(cc1)[N+](=O)[O-])CCC/C/2=C\c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 437.48
Empirical Formula: C21H19N5O4S

Available Amount: 0 mg

Lipinsky:
logP: 3.303
Rotatable bonds: 0
H-donors: 2
H-acceptors: 4
PSA: 165
Number of rings: 4

     

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