COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK681469
Chemical Name: 3-(benzylamino)-2-[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-5,5-dimethylcyclohex-2-en-1-one
Smiles: COc1ccc(cc1OC)/C=C/C(=O)C1=C(NCc2ccccc2)CC(CC1=O)(C)C

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Molecular Weight: 419.52
Empirical Formula: C26H29NO4

Physical State: Dry powder
Available Amount: 10 mg

Lipinsky:
logP: 5.188
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 64
Number of rings: 3

     

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