COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK889231
Chemical Name: (2Z)-4-[(7E)-7-(4-bromobenzylidene)-3-(4-bromophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-4-oxobut-2-enoicacid
Smiles: OC(=O)/C=C\C(=O)N1N=C2C(C1c1ccc(cc1)Br)CCC/C/2=C\c1ccc(cc1)Br

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Molecular Weight: 544.24
Empirical Formula: C24H20Br2N2O3

Physical State: Dry powder
Available Amount: 40 mg

Lipinsky:
logP: 5.679
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 69
Number of rings: 4

     

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