COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK149685
Chemical Name: 5-(3,4-dimethoxyphenyl)-2-({[2-(4-hexanoylpiperazin-1-yl)ethyl]amino}methylidene)cyclohexane-1,3-dione
Smiles: CCCCCC(=O)N1CCN(CC1)CCN/C=C/1\C(=O)CC(CC1=O)c1ccc(c(c1)OC)OC

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Molecular Weight: 485.62
Empirical Formula: C27H39N3O5

Physical State: Dry powder
Available Amount: 122 mg

Lipinsky:
logP: 2.566
Rotatable bonds: 9
H-donors: 1
H-acceptors: 5
PSA: 88
Number of rings: 3

     

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