COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK074602
Chemical Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2-{[(2,6-dioxo-4-phenylcyclohexylidene)methyl]amino}ethyl)piperazine-1-carbothioamide
Smiles: S=C(N1CCN(CC1)CCN/C=C/1\C(=O)CC(CC1=O)c1ccccc1)NCc1ccc2c(c1)OCO2

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Molecular Weight: 520.65
Empirical Formula: C28H32N4O4S

Physical State: Dry powder
Available Amount: 382 mg

Lipinsky:
logP: 2.428
Rotatable bonds: 4
H-donors: 2
H-acceptors: 4
PSA: 115
Number of rings: 5

     

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