COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL438774
Chemical Name: N-(1,3-benzodioxol-5-yl)-1-[{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}(pyridin-3-ylmethyl)amino]cyclohexanecarboxamide
Smiles: Cc1nc(SCC(=O)N(C2(CCCCC2)C(=O)Nc2ccc3c(c2)OCO3)Cc2cccnc2)nc(c1)C

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Molecular Weight: 533.65
Empirical Formula: C28H31N5O4S

Physical State: Dry powder
Available Amount: 20 mg

Lipinsky:
logP: 4.5
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 131
Number of rings: 5

     

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