COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK432998
Chemical Name: propyl2-({[2-(3-bromophenyl)quinolin-4-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CCCOC(=O)c1c(sc2c1CCCC2)NC(=O)c1cc(nc2c1cccc2)c1cccc(c1)Br

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Molecular Weight: 549.49
Empirical Formula: C28H25BrN2O3S

Physical State: Dry powder
Available Amount: 590 mg

Lipinsky:
logP: 9.369
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 96
Number of rings: 5

     

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