COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK033539
Chemical Name: 2-[(1,3-benzodioxol-5-ylmethyl)amino]-N-(4-butylphenyl)-4,4-dimethyl-6-oxocyclohex-1-ene-1-carbothioamide
Smiles: CCCCc1ccc(cc1)NC(=S)C1=C(NCc2ccc3c(c2)OCO3)CC(CC1=O)(C)C

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Molecular Weight: 464.63
Empirical Formula: C27H32N2O3S

Physical State: Dry powder
Available Amount: 118 mg

Lipinsky:
logP: 6.763
Rotatable bonds: 5
H-donors: 2
H-acceptors: 3
PSA: 91
Number of rings: 4

     

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