COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK438489
Chemical Name: ethyl2-[(3,4-dihydroisoquinolin-2(1H)-ylcarbonothioyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=S)N2CCc3c(C2)cccc3)sc2c1CCCCC2

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Molecular Weight: 414.59
Empirical Formula: C22H26N2O2S2

Physical State: Dry powder
Available Amount: 550 mg

Lipinsky:
logP: 7.12
Rotatable bonds: 3
H-donors: 1
H-acceptors: 2
PSA: 101
Number of rings: 4

     

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