COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL009176
Chemical Name: 2-{[(7E)-7-(4-chlorobenzylidene)-3-(4-chlorophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]carbonyl}benzoicacid
Smiles: Clc1ccc(cc1)/C=C/1\CCCC2C1=NN(C2c1ccc(cc1)Cl)C(=O)c1ccccc1C(=O)O

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Molecular Weight: 505.4
Empirical Formula: C28H22Cl2N2O3

Available Amount: 0 mg

Lipinsky:
logP: 5.704
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 69
Number of rings: 5

     

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