COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK062879
Chemical Name: (2-bromophenyl)[(7E)-7-(4-chlorobenzylidene)-3-(4-chlorophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]methanone
Smiles: Clc1ccc(cc1)/C=C/1\CCCC2C1=NN(C2c1ccc(cc1)Cl)C(=O)c1ccccc1Br

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Molecular Weight: 540.29
Empirical Formula: C27H21BrCl2N2O

Physical State: Dry powder
Available Amount: 147 mg

Lipinsky:
logP: 6.927
Rotatable bonds: 1
H-donors: 0
H-acceptors: 1
PSA: 32
Number of rings: 5

     

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