COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK016758
Chemical Name: (2E)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(3,4-dimethoxyphenyl)prop-2-en-1-one
Smiles: COc1cc(/C=C/C(=O)N2CCN(CC2)Cc2ccc3c(c2)OCO3)ccc1OC

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Molecular Weight: 410.47
Empirical Formula: C23H26N2O5

Physical State: Dry powder
Available Amount: 417 mg

Lipinsky:
logP: 2.854
Rotatable bonds: 5
H-donors: 0
H-acceptors: 5
PSA: 60
Number of rings: 4

     

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