COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL446775
Chemical Name: N-[2-(1,3-benzodioxol-5-ylamino)-1-(cyclohex-3-en-1-yl)-2-oxoethyl]-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-(2-methylbenzyl)acetamide
Smiles: Cc1nc(SCC(=O)N(C(C(=O)Nc2ccc3c(c2)OCO3)C2CCC=CC2)Cc2ccccc2C)nc(c1)C

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Molecular Weight: 558.7
Empirical Formula: C31H34N4O4S

Physical State: Dry powder
Available Amount: 41 mg

Lipinsky:
logP: 7.252
Rotatable bonds: 7
H-donors: 1
H-acceptors: 4
PSA: 118
Number of rings: 5

     

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