COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK779422
Chemical Name: 2-[7,7-dimethyl-4-(3-methylthiophen-2-yl)-2,5-dioxo-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carbonitrile
Smiles: N#Cc1c2CCCCCCc2sc1N1C(=O)CC(C2=C1CC(C)(C)CC2=O)c1sccc1C

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Molecular Weight: 478.68
Empirical Formula: C27H30N2O2S2

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: 6.178
Rotatable bonds: 1
H-donors: 0
H-acceptors: 2
PSA: 117
Number of rings: 5

     

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