COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK422764
Chemical Name: propan-2-yl2-{[(6-bromo-2-phenylquinolin-4-yl)carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Smiles: CC(OC(=O)c1c(sc2c1CCCCC2)NC(=O)c1cc(nc2c1cc(Br)cc2)c1ccccc1)C

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Molecular Weight: 563.52
Empirical Formula: C29H27BrN2O3S

Physical State: Dry powder
Available Amount: 1063 mg

Lipinsky:
logP: 9.818
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 96
Number of rings: 5

     

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