COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK034041
Chemical Name: (7E)-7-(3-nitrobenzylidene)-3-(3-nitrophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazole-2-carbothioamide
Smiles: NC(=S)N1N=C2C(C1c1cccc(c1)[N+](=O)[O-])CCC/C/2=C\c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 437.48
Empirical Formula: C21H19N5O4S

Physical State: Dry powder
Available Amount: 367 mg

Lipinsky:
logP: 3.425
Rotatable bonds: 2
H-donors: 2
H-acceptors: 4
PSA: 165
Number of rings: 4

     

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