COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK419472
Chemical Name: propyl2-({[2-(4-bromophenyl)quinolin-4-yl]carbonyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Smiles: CCCOC(=O)c1c(sc2c1CCCCC2)NC(=O)c1cc(nc2c1cccc2)c1ccc(cc1)Br

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Molecular Weight: 563.52
Empirical Formula: C29H27BrN2O3S

Physical State: Dry powder
Available Amount: 1275 mg

Lipinsky:
logP: 10.16
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 96
Number of rings: 5

     

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