COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK015643
Chemical Name: 4-(2-{[(2,6-dioxo-4-phenylcyclohexylidene)methyl]amino}ethyl)-N-(prop-2-en-1-yl)piperazine-1-carbothioamide
Smiles: C=CCNC(=S)N1CCN(CC1)CCN/C=C/1\C(=O)CC(CC1=O)c1ccccc1

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Molecular Weight: 426.58
Empirical Formula: C23H30N4O2S

Physical State: Dry powder
Available Amount: 633 mg

Lipinsky:
logP: 1.461
Rotatable bonds: 4
H-donors: 2
H-acceptors: 2
PSA: 96
Number of rings: 3

     

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