COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL357436
Chemical Name: 5,5-dimethyl-2-{[(2-{4-[(2E)-3-phenylprop-2-enoyl]piperazin-1-yl}ethyl)amino]methylidene}cyclohexane-1,3-dione
Smiles: O=C(N1CCN(CC1)CCNC=C1C(=O)CC(CC1=O)(C)C)/C=C/c1ccccc1

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Molecular Weight: 409.53
Empirical Formula: C24H31N3O3

Physical State: Dry powder
Available Amount: 198 mg

Lipinsky:
logP: 1.984
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 69
Number of rings: 3

     

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