COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL446771
Chemical Name: N-[2-(1,3-benzodioxol-5-ylamino)-1-(cyclohex-3-en-1-yl)-2-oxoethyl]-N-benzyl-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamide
Smiles: Cc1nc(SCC(=O)N(C(C(=O)Nc2ccc3c(c2)OCO3)C2CCC=CC2)Cc2ccccc2)nc(c1)C

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Molecular Weight: 544.67
Empirical Formula: C30H32N4O4S

Physical State: Dry powder
Available Amount: 34 mg

Lipinsky:
logP: 6.792
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 118
Number of rings: 5

     

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