COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK776692
Chemical Name: N-({4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}carbonothioyl)-1,3-benzodioxole-5-carboxamide
Smiles: S=C(N1CCN(CC1)C/C=C/c1ccccc1)NC(=O)c1ccc2c(c1)OCO2

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Molecular Weight: 409.51
Empirical Formula: C22H23N3O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.319
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 86
Number of rings: 4

     

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