COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK889219
Chemical Name: [(7E)-7-(4-chlorobenzylidene)-3-(4-chlorophenyl)-5-methyl-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl](2-chloro-5-nitrophenyl)methanone
Smiles: CC1C/C(=C\c2ccc(cc2)Cl)/C2=NN(C(C2C1)c1ccc(cc1)Cl)C(=O)c1cc(ccc1Cl)[N+](=O)[O-]

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Molecular Weight: 554.86
Empirical Formula: C28H22Cl3N3O3

Physical State: Dry powder
Available Amount: 36 mg

Lipinsky:
logP: 7.21
Rotatable bonds: 1
H-donors: 0
H-acceptors: 3
PSA: 78
Number of rings: 5

     

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