COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK143024
Chemical Name: 4-(2-{[(2,6-dioxo-4-phenylcyclohexylidene)methyl]amino}ethyl)-N-ethylpiperazine-1-carbothioamide
Smiles: CCNC(=S)N1CCN(CC1)CCN/C=C/1\C(=O)CC(CC1=O)c1ccccc1

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Molecular Weight: 414.57
Empirical Formula: C22H30N4O2S

Physical State: Dry powder
Available Amount: 286 mg

Lipinsky:
logP: 1.165
Rotatable bonds: 3
H-donors: 2
H-acceptors: 2
PSA: 96
Number of rings: 3

     

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