COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK769582
Chemical Name: 1-({[4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}methyl)-3,3-dimethyl-3,4-dihydroisoquinoline
Smiles: CC1(C)N=C(CSc2nc(cc(n2)C(F)(F)F)c2ccc3c(c2)OCO3)c2c(C1)cccc2

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Molecular Weight: 471.5
Empirical Formula: C24H20F3N3O2S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 6.346
Rotatable bonds: 4
H-donors: 0
H-acceptors: 2
PSA: 81
Number of rings: 5

     

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