COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK097758
Chemical Name: (2-bromophenyl)[(7E)-7-(3,4-dimethoxybenzylidene)-3-(3,4-dimethoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]methanone
Smiles: COc1ccc(cc1OC)/C=C/1\CCCC2C1=NN(C2c1ccc(c(c1)OC)OC)C(=O)c1ccccc1Br

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Molecular Weight: 591.5
Empirical Formula: C31H31BrN2O5

Physical State: Dry powder
Available Amount: 387 mg

Lipinsky:
logP: 5.371
Rotatable bonds: 7
H-donors: 0
H-acceptors: 5
PSA: 69
Number of rings: 5

     

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