COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK784497
Chemical Name: 2-[4-(1,3-benzodioxol-5-yl)-7,7-dimethyl-2,5-dioxo-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile
Smiles: N#Cc1c(sc2c1CCCCC2)N1C(=O)CC(C2=C1CC(C)(C)CC2=O)c1ccc2c(c1)OCO2

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Molecular Weight: 488.61
Empirical Formula: C28H28N2O4S

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: 5.337
Rotatable bonds: 1
H-donors: 0
H-acceptors: 4
PSA: 107
Number of rings: 6

     

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