COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK015434
Chemical Name: 1-[(1E)-3-(4-benzylpiperazin-1-yl)-1-(3,4-dimethoxyphenyl)-3-oxoprop-1-en-2-yl]pyridin-2(1H)-one
Smiles: COc1cc(ccc1OC)/C=C(/n1ccccc1=O)\C(=O)N1CCN(CC1)Cc1ccccc1

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Molecular Weight: 459.55
Empirical Formula: C27H29N3O4

Physical State: Dry powder
Available Amount: 965 mg

Lipinsky:
logP: 2.529
Rotatable bonds: 4
H-donors: 0
H-acceptors: 4
PSA: 62
Number of rings: 4

     

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