COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK889202
Chemical Name: N-(4-chlorophenyl)-3-{[(7E)-7-(3-nitrobenzylidene)-3-(3-nitrophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]carbonyl}benzenesulfonamide
Smiles: Clc1ccc(cc1)NS(=O)(=O)c1cccc(c1)C(=O)N1N=C2C(C1c1cccc(c1)[N+](=O)[O-])CCC/C/2=C\c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 672.12
Empirical Formula: C33H26ClN5O7S

Physical State: Dry powder
Available Amount: 45 mg

Lipinsky:
logP: 7.171
Rotatable bonds: 4
H-donors: 1
H-acceptors: 7
PSA: 178
Number of rings: 6

     

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