COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK301367
Chemical Name: ethyl2-[({[2-(4-chlorophenyl)quinolin-4-yl]carbonyl}carbamothioyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=S)NC(=O)c2cc(nc3c2cccc3)c2ccc(cc2)Cl)sc2c1CCCCC2

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Molecular Weight: 564.13
Empirical Formula: C29H26ClN3O3S2

Physical State: Dry powder
Available Amount: 20 mg

Lipinsky:
logP: 9.489
Rotatable bonds: 4
H-donors: 2
H-acceptors: 3
PSA: 140
Number of rings: 5

     

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