COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL286817
Chemical Name: (2E)-1-[(7E)-7-(4-chlorobenzylidene)-3-(4-chlorophenyl)-5-methyl-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-3-(3,4-dimethoxyphenyl)prop-2-en-1-one
Smiles: COc1cc(/C=C/C(=O)N2N=C3C(C2c2ccc(cc2)Cl)CC(C/C/3=C\c2ccc(cc2)Cl)C)ccc1OC

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Molecular Weight: 561.51
Empirical Formula: C32H30Cl2N2O3

Physical State: Dry powder
Available Amount: 57 mg

Lipinsky:
logP: 7.876
Rotatable bonds: 4
H-donors: 0
H-acceptors: 3
PSA: 51
Number of rings: 5

     

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