COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK996932
Chemical Name: (2E,6E)-2,6-bis[3-(1H-benzotriazol-1-ylmethyl)-4-methoxybenzylidene]cyclohexanone
Smiles: COc1ccc(cc1Cn1nnc2c1cccc2)/C=C/1\CCC/C(=C\c2ccc(c(c2)Cn2nnc3c2cccc3)OC)/C1=O

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Molecular Weight: 596.69
Empirical Formula: C36H32N6O3

Physical State: Dry powder
Available Amount: 350 mg

Lipinsky:
logP: 7.311
Rotatable bonds: 8
H-donors: 0
H-acceptors: 3
PSA: 96
Number of rings: 7

     

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