COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK666903
Chemical Name: N-cyclopentyl-1-[({[4-(4-fluorophenyl)-2,6-dioxocyclohexylidene]methyl}amino)methyl]-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Smiles: Fc1ccc(cc1)C1CC(=O)/C(=C/NCC2N(CCc3c2cccc3)C(=S)NC2CCCC2)/C(=O)C1

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Molecular Weight: 505.66
Empirical Formula: C29H32FN3O2S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.917
Rotatable bonds: 3
H-donors: 2
H-acceptors: 2
PSA: 93
Number of rings: 5

     

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